New Database Available - Released on 23/03/2024.
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molecules
Showing 121 to 150 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
2,4-DNT 121-14-2 mono 8461 RMBFBMJGBANMMK-UHFFFAOYSA-N CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
galaxolide 1222-05-5 sum of isomers 91497 ONKNPOPIGWHAQC-UHFFFAOYSA-N CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
2,4,5-trimethyl-4,5-dihydrothiazole sum of isomers 263626 CIEKNJJOENYFQL-UHFFFAOYSA-N CC1C(SC(=N1)C)C
2,3,5-Trimethylpyrazine mono 26808 IAEGWXHKWJGQAZ-UHFFFAOYSA-N CC1=CN=C(C(=N1)C)C
2-Isopropyl-3-methoxypyrazine mono 33166 NTOPKICPEQUPPH-UHFFFAOYSA-N CC(C)C1=NC=CN=C1OC
2-Isobutyl-3-methoxypyrazine mono 32594 UXFSPRAGHGMRSQ-UHFFFAOYSA-N CC(C)CC1=NC=CN=C1OC
Pentanoic Acid 109-52-4 mono 7991 NQPDZGIKBAWPEJ-UHFFFAOYSA-N CCCCC(=O)O
trans-2-Nonenal mono 5283335 BSAIUMLZVGUGKX-BQYQJAHWSA-N CCCCCC/C=C/C=O
1-penten-3-one mono 15394 JLIDVCMBCGBIEY-UHFFFAOYSA-N CCC(=O)C=C
furaneol sum of isomers 19309 INAXVXBDKKUCGI-UHFFFAOYSA-N CC1C(=O)C(=C(O1)C)O
1-octen-3-one mono 61346 KLTVSWGXIAYTHO-UHFFFAOYSA-N CCCCCC(=O)C=C
Methional mono 18635 CLUWOWRTHNNBBU-UHFFFAOYSA-N CSCCC=O
trimethylamine mono 1146 GETQZCLCWQTVFV-UHFFFAOYSA-N CN(C)C
musk ketone mono 6669 WXCMHFPAUCOJIG-UHFFFAOYSA-N CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N ...
(2R/2S)-4-methoxy-2,5-dimethylfuran-3(2H)-one sum of isomers 61325 SIMKGHMLPVDSJE-UHFFFAOYSA-N CC1C(=O)C(=C(O1)C)OC
2-Acetyl-3-ethylpyrazine mono 61918 PPJSYGVFDJEMRP-UHFFFAOYSA-N CCC1=NC=CN=C1C(=O)C
2-ethylpyrazine mono 26331 KVFIJIWMDBAGDP-UHFFFAOYSA-N CCC1=NC=CN=C1
Nootkatone 4674-50-4 mono 1268142 WTOYNNBCKUYIKC-JMSVASOKSA-N C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C ...
helional sum of isomers 64805 BOPPSUHPZARXTH-UHFFFAOYSA-N CC(CC1=CC2=C(C=C1)OCO2)C=O
CARVEOL sum of isomers 7438 BAVONGHXFVOKBV-UHFFFAOYSA-N CC1=CCC(CC1O)C(=C)C
heptanal mono 8130 FXHGMKSSBGDXIY-UHFFFAOYSA-N CCCCCCC=O
3,7-dimethyl-6-octenoic acid sum of isomers 10402 GJWSUKYXUMVMGX-UHFFFAOYSA-N CC(CCC=C(C)C)CC(=O)O
menthone mono 26447 NFLGAXVYCFJBMK-BDAKNGLRSA-N C[C@@H]1CC[C@H](C(=O)C1)C(C)C
nonanol mono 8914 ZWRUINPWMLAQRD-UHFFFAOYSA-N CCCCCCCCCO
(-)carvyl acetate mono 11964245 YTHRBOFHFYZBRJ-JHJMLUEUSA-N CC1=CC[C@H](CC1OC(=O)C)C(=C)C
Nonanoic acid mono 8158 FBUKVWPVBMHYJY-UHFFFAOYSA-N CCCCCCCCC(=O)O
1-octen-3-ol sum of isomers 18827 VSMOENVRRABVKN-UHFFFAOYSA-N CCCCCC(C=C)O
methionol mono 10448 CZUGFKJYCPYHHV-UHFFFAOYSA-N CSCCCO
1,2-Dichloroethylene sum of isomers 10900 KFUSEUYYWQURPO-UHFFFAOYSA-N C(=CCl)Cl
Hydroxy-citronellal sum of isomers 7888 WPFVBOQKRVRMJB-UHFFFAOYSA-N CC(CCCC(C)(C)O)CC=O