| SpectraBase Spectrum ID |
5l7hdv72XQd |
| Name |
Benzeneacetic acid, 4-(acetyloxy)-3-methoxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084123546 u |
| Formula |
C12H14O5 |
| InChI |
InChI=1S/C12H14O5/c1-8(13)17-10-5-4-9(6-11(10)15-2)7-12(14)16-3/h4-6H,7H2,1-3H3 |
| InChIKey |
SEHYXBTZDJXHIT-UHFFFAOYSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C(OC1=C(OC)C=C(C=C1)CC(OC)=O)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983654 |
