SpectraBase Spectrum ID |
G2hfMJxebsp |
Name |
(Z)-(2-Vinylbenzo[D][1,3]oxazin-4-ylidene)acetic acid methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.073893215 u |
Formula |
C13H11NO3 |
InChI |
InChI=1S/C13H11NO3/c1-3-12-14-10-7-5-4-6-9(10)11(17-12)8-13(15)16-2/h3-8H,1H2,2H3/b11-8- |
InChIKey |
YDKUQWAAGQIFRA-FLIBITNWSA-N |
Molecular Weight |
229.235 g/mol |
SMILES |
C(\C=C\1OC(=NC=2C1=CC=CC2)C=C)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813663 |