| SpectraBase Spectrum ID |
B4xbsNByQEf |
| Name |
Propanedioic acid, (acetyloxy)(4-methoxy-3-methylphenyl)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.136553041 u |
| Formula |
C17H22O7 |
| InChI |
InChI=1S/C17H22O7/c1-6-22-15(19)17(24-12(4)18,16(20)23-7-2)13-8-9-14(21-5)11(3)10-13/h8-10H,6-7H2,1-5H3 |
| InChIKey |
MLUDTUBDLOTJKR-UHFFFAOYSA-N |
| Molecular Weight |
338.356 g/mol |
| SMILES |
C(C=1C=C(C)C(=CC1)OC)(C(=O)OCC)(C(=O)OCC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957452 |
