| SpectraBase Spectrum ID |
KoTrJ4LkAzs |
| Name |
Propanedioic acid, (4-methoxy-3-methylphenyl)methyl-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.146723803 u |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-6-20-14(17)16(4,15(18)21-7-2)12-8-9-13(19-5)11(3)10-12/h8-10H,6-7H2,1-5H3 |
| InChIKey |
LQBHXMDATGZVSR-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
C(C=1C=C(C)C(=CC1)OC)(C(=O)OCC)(C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979645 |
