| SpectraBase Spectrum ID |
2mWggDKaOm0 |
| Name |
Benzoic acid cyclohexyl ester |
| CAS Registry Number |
2412-73-9 |
| Classification |
Preservative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey |
DQZKGSRJOUYVPL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.269 g/mol |
| Nominal Mass |
204 u |
| Quality |
984 |
| Retention Index |
1520 |
| SMILES |
C=1(C(OC2CCCCC2)=O)C=CC=CC1 |
| SPLASH |
splash10-0ab9-8900000000-f718fe65c59209c1c8f9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
cyclohexyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005675 |
