| SpectraBase Spectrum ID |
DDNhZ1IEsEy |
| Name |
Methyl 2-hydroxy-4-methyl-3-(3-phenylpropyl)-6-(trifluoromethyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.128628958 u |
| Formula |
C19H19F3O3 |
| InChI |
InChI=1S/C19H19F3O3/c1-12-11-15(19(20,21)22)16(18(24)25-2)17(23)14(12)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11,23H,6,9-10H2,1-2H3 |
| InChIKey |
XJPJKNTWWQNYHA-UHFFFAOYSA-N |
| Molecular Weight |
352.353 g/mol |
| SMILES |
C(C=1C(=C(C(=CC1C(F)(F)F)C)CCCC1=CC=CC=C1)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92544 |
