| SpectraBase Spectrum ID |
B1ppLF7hFr9 |
| Name |
Benzenacetic acid, 4-benzyloxy-3-ethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.120509056 u |
| Formula |
C17H18O4 |
| InChI |
InChI=1S/C17H18O4/c1-2-20-16-10-14(11-17(18)19)8-9-15(16)21-12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,18,19) |
| InChIKey |
NEFUXLKTOZQHQX-UHFFFAOYSA-N |
| SMILES |
C(OC1=C(C=C(CC(O)=O)C=C1)OCC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925932 |
