| SpectraBase Spectrum ID |
DoCFZVKdpWC |
| Name |
Cyclohexyl 3-methylbenzoate |
| CAS Registry Number |
6641-66-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-11-6-5-7-12(10-11)14(15)16-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9H2,1H3 |
| InChIKey |
BDOUOWCUFMJLNR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.296 g/mol |
| Nominal Mass |
218 u |
| Quality |
980 |
| Retention Index |
1741 |
| SMILES |
C=1(C(OC2CCCCC2)=O)C=C(C=CC1)C |
| SPLASH |
splash10-014r-8900000000-231092df7ec2c4488d2b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-methyl-,cyclohexyl ester
Cyclohexyl-3-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022451 |
