| SpectraBase Spectrum ID |
G5Rur7Zb5q8 |
| Name |
(Z)-.beta.-Methoxy-.gamma.-cyanocarbomethoxymethylidene-.delta.(.alpha.,.beta.)-butenolide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
209.032422324 u |
| Formula |
C9H7NO5 |
| InChI |
InChI=1S/C9H7NO5/c1-13-6-3-7(11)15-8(6)5(4-10)9(12)14-2/h3H,1-2H3/b8-5- |
| InChIKey |
CDSICTXIIBWQQQ-YVMONPNESA-N |
| Molecular Weight |
209.157 g/mol |
| SMILES |
C(\C(=C\1C(=CC(O1)=O)OC)C#N)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932379 |
