| SpectraBase Spectrum ID |
9BSCY3BiT7T |
| Name |
Ethanone, 1-(2-(methoxycarbonyl)oxy-5-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-7(12)9-6-8(14-2)4-5-10(9)16-11(13)15-3/h4-6H,1-3H3 |
| InChIKey |
AVPVQLYIEBWDLH-UHFFFAOYSA-N |
| Molecular Weight |
224.212 g/mol |
| SMILES |
C1(C(=O)C)=C(C=CC(=C1)OC)OC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946353 |
