SpectraBase Spectrum ID |
KQaTTcpCeUS |
Name |
(E)-3-[2-[(E)-3-Keto-3-methoxy-prop-1-enyl]phenyl]acrylic acid methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.089208927 u |
Formula |
C14H14O4 |
InChI |
InChI=1S/C14H14O4/c1-17-13(15)9-7-11-5-3-4-6-12(11)8-10-14(16)18-2/h3-10H,1-2H3/b9-7+,10-8+ |
InChIKey |
ZOJFVWFKNBWXNT-FIFLTTCUSA-N |
Molecular Weight |
246.262 g/mol |
SMILES |
C(\C=C\C=1C(\C=C\C(=O)OC)=CC=CC1)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968142 |