| SpectraBase Spectrum ID |
3OQP14B6aIS |
| Name |
2-(3-(Isopropyloxycarbonyl)oxyphenyl)acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-9(2)17-13(15)18-11-6-4-5-10(7-11)8-12(14)16-3/h4-7,9H,8H2,1-3H3 |
| InChIKey |
UUILGJGISDUDFI-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C(C(OC)=O)C1=CC(OC(OC(C)C)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951495 |
