| SpectraBase Spectrum ID |
JJXh3mGokls |
| Name |
4-Methylbenzyl acetate |
| CAS Registry Number |
23786-13-2 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3 |
| InChIKey |
WDCUPFMSLUIQBH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
984 |
| Retention Index |
1280 |
| SMILES |
C=1(C=CC(=CC1)C)COC(=O)C |
| SPLASH |
splash10-0a4i-3900000000-033d4a7efb359e8e89a4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019247 |
