| SpectraBase Spectrum ID |
JIKc2vWDeYi |
| Name |
Methyl p-tert-butyl benzoate |
| CAS Registry Number |
26537-19-9 |
| 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 |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3 |
| InChIKey |
UPIJOAFHOIWPLT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
857 |
| Retention Index |
1391 |
| SMILES |
C=1(C(C)(C)C)C=CC(C(OC)=O)=CC1 |
| SPLASH |
splash10-004i-3900000000-e4c183ee56ddfa472142 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl-4-tert-butyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004333 |
