| SpectraBase Spectrum ID |
7P0PWBSg5dC |
| Name |
2-Methylbenzoic acid, 4-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.130679818 u |
| Formula |
C17H18O2 |
| InChI |
InChI=1S/C17H18O2/c1-12(2)14-8-10-15(11-9-14)19-17(18)16-7-5-4-6-13(16)3/h4-12H,1-3H3 |
| InChIKey |
CYYAUDSIUUOTCA-UHFFFAOYSA-N |
| Molecular Weight |
254.329 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C)(OC1=CC=C(C(C)C)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864959 |
