| SpectraBase Spectrum ID |
108ahrrvhxq |
| Name |
Isopropyl-p-toluate |
| CAS Registry Number |
19277-55-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| 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)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey |
ONWRVKPIVJMSHO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
894 |
| Retention Index |
1312 |
| SMILES |
C1(C(OC(C)C)=O)=CC=C(C=C1)C |
| SPLASH |
splash10-014l-9400000000-1d23a003c5ee7837812a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-methyl-,1-methylethyl ester
Isopropyl p-toluate
p-Toluic acid isopropyl ester
Isopropyl-4-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014684 |
