| SpectraBase Spectrum ID |
DluWQejnC08 |
| Name |
Isobutyl-p-toluate |
| CAS Registry Number |
29240-30-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey |
IELVQABKIBOBRG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
975 |
| Retention Index |
1437 |
| SMILES |
C=1(C(OCC(C)C)=O)C=CC(=CC1)C |
| SPLASH |
splash10-014r-7900000000-9a1b34843263429a57fa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isobutyl-4-methyl benzoate
p-Toluic acid isobutyl ester
Isobutyl 4-methylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010323 |
