SpectraBase Spectrum ID |
L5oycJ16zni |
Name |
Dimethyl 2-methyl-2-[3'-phenoxyprop-2'-enyl]propanedioate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.115423675 u |
Formula |
C15H18O5 |
InChI |
InChI=1S/C15H18O5/c1-15(13(16)18-2,14(17)19-3)10-7-11-20-12-8-5-4-6-9-12/h4-9,11H,10H2,1-3H3/b11-7+ |
InChIKey |
OVUDSJAFNSSEDG-YRNVUSSQSA-N |
SMILES |
C(C(=O)OC)(C(=O)OC)(C\C=C\OC1=CC=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931586 |