| SpectraBase Spectrum ID |
9ZLZsfwfDp3 |
| Name |
Benzenepropanoic acid, .beta.-ethyl-, methyl 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/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey |
DYQMBZWQOFZUJJ-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C(C(CC)C1=CC=CC=C1)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97375 |
