SpectraBase Spectrum ID |
D4gkRhaMyPc |
Name |
(+-)-methyl 2-[2-[(ethoxycarbonyl)methyl]-4-methylphenyl]propionateate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
264.136159120 u |
Formula |
C15H20O4 |
InChI |
InChI=1S/C15H20O4/c1-5-19-14(16)9-12-8-10(2)6-7-13(12)11(3)15(17)18-4/h6-8,11H,5,9H2,1-4H3 |
InChIKey |
YJMXJOBPYQPUDY-UHFFFAOYSA-N |
Molecular Weight |
264.321 g/mol |
SMILES |
C=1(C(C(C(=O)OC)C)=CC=C(C1)C)CC(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943566 |