| SpectraBase Spectrum ID |
BdUzYaQiNMW |
| Name |
Erythro-ethyl 3-methoxy-2-methyl-3-phenylpropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-4-16-13(14)10(2)12(15-3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3 |
| InChIKey |
BRPMFKRNBIARJA-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C(C(C(OC)C1=CC=CC=C1)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866717 |
