| SpectraBase Spectrum ID |
A7lBKkS0Q8u |
| Name |
(E)-2-Cyano-3-[(2-keto-2-methoxy-ethyl)amino]-3-(methylthio)acrylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.067428109 u |
| Formula |
C10H14N2O4S |
| InChI |
InChI=1S/C10H14N2O4S/c1-4-16-10(14)7(5-11)9(17-3)12-6-8(13)15-2/h12H,4,6H2,1-3H3/b9-7+ |
| InChIKey |
WUEKEFLRQSKLPK-VQHVLOKHSA-N |
| SMILES |
C(N\C(=C/(C(=O)OCC)C#N)SC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886614 |
![(E)-2-cyano-3-[(2-keto-2-methoxy-ethyl)amino]-3-(methylthio)acrylic acid ethyl ester](/api/spectrum/A7lBKkS0Q8u/structure.png?h=300&w=458 "(E)-2-cyano-3-[(2-keto-2-methoxy-ethyl)amino]-3-(methylthio)acrylic acid ethyl ester")
