| SpectraBase Spectrum ID |
JIux0mZBtz6 |
| Name |
4-(1-Methylethyl)benzoic acid methyl ester |
| CAS Registry Number |
20185-55-1 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3 |
| InChIKey |
IPIVTJSCIHXKOE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
919 |
| Retention Index |
1291 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)C(C)C |
| SPLASH |
splash10-0400-5900000000-0cfef2f0f028dd1a48cb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 4-(propan-2-yl)benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005547 |
