New Database Available - Released on 23/03/2024.
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molecules
Showing 61 to 90 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
phenyl acetaldehyde 122-78-1 mono 998 DTUQWGWMVIHBKE-UHFFFAOYSA-N C1=CC=C(C=C1)CC=O
3-Phenyl propionic acid mono 107 XMIIGOLPHOKFCH-UHFFFAOYSA-N C1=CC=C(C=C1)CCC(=O)O
3-Phenylpropionaldehyde 104-53-0 mono 7707 YGCZTXZTJXYWCO-UHFFFAOYSA-N C1=CC=C(C=C1)CCC=O
4-phenylbutyraldehyde 18328-11-5 mono 29030 NHFRGTVSKOPUBK-UHFFFAOYSA-N C1=CC=C(C=C1)CCCC=O
Benzenepentanal 36884-28-3 mono 561886 FINOPSACFXSAKB-UHFFFAOYSA-N C1=CC=C(C=C1)CCCCC=O
3-Phenylpropanol mono 31234 VAJVDSVGBWFCLW-UHFFFAOYSA-N C1=CC=C(C=C1)CCCO
2-Phenylethanol mono 6054 WRMNZCZEMHIOCP-UHFFFAOYSA-N C1=CC=C(C=C1)CCO
2-Phenylethanethiol mono 78126 ZMRFRBHYXOQLDK-UHFFFAOYSA-N C1=CC=C(C=C1)CCS
Benzyl alcohol mono 244 WVDDGKGOMKODPV-UHFFFAOYSA-N C1=CC=C(C=C1)CO
benzyl salicylate mono 8363 ZCTQGTTXIYCGGC-UHFFFAOYSA-N C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
Benzyl mercaptan mono 7509 UENWRTRMUIOCKN-UHFFFAOYSA-N C1=CC=C(C=C1)CS
diphenyl ether 101-84-8 mono 7583 USIUVYZYUHIAEV-UHFFFAOYSA-N C1=CC=C(C=C1)OC2=CC=CC=C2
4-Hydroxycoumarin mono 54682930 VXIXUWQIVKSKSA-UHFFFAOYSA-N C1=CC=C2C(=C1)C(=CC(=O)O2)O
coumarin 91-64-5 mono 323 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CC(=O)O2
quinoline 91-22-5 mono 7047 SMWDFEZZVXVKRB-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CC=N2
indol mono 798 SIKJAQJRHWYJAI-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CN2
benzothiazol mono 7222 IOJUPLGTWVMSFF-UHFFFAOYSA-N C1=CC=C2C(=C1)N=CS2
benzene 71-43-2 mono 241 UHOVQNZJYSORNB-UHFFFAOYSA-N C1=CC=CC=C1
Benzenes mixture UHOVQNZJYSORNB-UHFFFAOYSA-N HJWLCRVIBGQP ... C1=CC=CC=C1 C=CCC1=CC=CC=C1 C1=CC=C(C=C1 ...
pyridine 110-86-1 mono 1049 JUJWROOIHBZHMG-UHFFFAOYSA-N C1=CC=NC=C1
pyrazine 290-37-9 mono 9261 KYQCOXFCLRTKLS-UHFFFAOYSA-N C1=CN=CC=N1
Furfural mono 7362 HYBBIBNJHNGZAN-UHFFFAOYSA-N C1=COC(=C1)C=O
Furfuryl alcohol mono 7361 XPFVYQJUAUNWIW-UHFFFAOYSA-N C1=COC(=C1)CO
2-Furfurylthiol mono 7363 ZFFTZDQKIXPDAF-UHFFFAOYSA-N C1=COC(=C1)CS
Furfuryl Sulfide mono 61659 UYLKDZXJEKFFHJ-UHFFFAOYSA-N C1=COC(=C1)CSCC2=CC=CO2
coffee difuran 4437-20-1 mono 20499 CBJPZHSWLMJQRI-UHFFFAOYSA-N C1=COC(=C1)CSSCC2=CC=CO2
Thiophen-2-ylmethanethiol mono 80408 GCZQHDFWKVMZOE-UHFFFAOYSA-N C1=CSC(=C1)CS
thiazol mono 9256 FZWLAAWBMGSTSO-UHFFFAOYSA-N C1=CSC=N1
adenosine-2’-3’-c-phosphate 634-01-5 mono 101812 KMYWVDDIPVNLME-KQYNXXCUSA-N C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H] ...
2-Coumaranone mono 68382 ACZGCWSMSTYWDQ-UHFFFAOYSA-N C1C2=CC=CC=C2OC1=O