| SpectraBase Spectrum ID |
6r4oe3PfHOB |
| Name |
Ethanone, 1-(2-isopropyloxycarbonyloxy-4-methoxyphenyl)- |
| 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/c1-8(2)17-13(15)18-12-7-10(16-4)5-6-11(12)9(3)14/h5-8H,1-4H3 |
| InChIKey |
WXOKOFMMGMPBJH-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C1(=CC=C(OC)C=C1OC(OC(C)C)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957153 |
