SpectraBase Spectrum ID |
JXkfj2QNVys |
Name |
(Z)-4-Methoxy-5-[(phenoxycarbonyl)methylene]-2(5H)-furanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.052823417 u |
Formula |
C13H10O5 |
InChI |
InChI=1S/C13H10O5/c1-16-10-7-13(15)18-11(10)8-12(14)17-9-5-3-2-4-6-9/h2-8H,1H3/b11-8- |
InChIKey |
PAZRFZYNCWZUSF-FLIBITNWSA-N |
Molecular Weight |
246.218 g/mol |
SMILES |
C(\C=C\1C(=CC(O1)=O)OC)(OC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974179 |