| SpectraBase Spectrum ID |
DkSAIhEgFTE |
| Name |
Cyclohexyl-p-toluate |
| CAS Registry Number |
58435-19-1 |
| Classification |
Chemical |
| 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 |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-11-7-9-12(10-8-11)14(15)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3 |
| InChIKey |
QTHDBPIDYUXYLO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.296 g/mol |
| Nominal Mass |
218 u |
| Quality |
991 |
| Retention Index |
1728 |
| SMILES |
C1(C(OC2CCCCC2)=O)=CC=C(C=C1)C |
| SPLASH |
splash10-014u-9600000000-ebe6d95f2f292da255ba |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
p-Toluic acid cyclohexyl ester
p-Toluic acid,cyclohexyl ester
Cyclohexyl-4-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010326 |
