| SpectraBase Spectrum ID |
Cmi1NEDMI0m |
| Name |
Benzenebutanoic acid, .gamma.-phenyl-, methyl 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/c1-19-17(18)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3 |
| InChIKey |
KONORNDPKQTLGG-UHFFFAOYSA-N |
| Molecular Weight |
254.329 g/mol |
| SMILES |
C(CCC(=O)OC)(C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933883 |
