| SpectraBase Spectrum ID |
ESCBIdu1Azg |
| Name |
Benzoic acid, 4-methyl-, 2-methylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. 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 |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C(OC(C=1C=CC(=CC1)C)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883897 |
