| SpectraBase Spectrum ID |
90ODaUyRRyY |
| Name |
(Z)-3-(3,4-Dimethoxyphenyl)-3-[3-(phenylthio)propylamino]-2-propenoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.150429459 u |
| Formula |
C21H25NO4S |
| InChI |
InChI=1S/C21H25NO4S/c1-24-19-11-10-16(14-20(19)25-2)18(15-21(23)26-3)22-12-7-13-27-17-8-5-4-6-9-17/h4-6,8-11,14-15,22H,7,12-13H2,1-3H3/b18-15- |
| InChIKey |
QBUKTYGBEDKSNA-SDXDJHTJSA-N |
| Molecular Weight |
387.494 g/mol |
| SMILES |
C1(\C(=C\C(=O)OC)NCCCSC2=CC=CC=C2)=CC(OC)=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918921 |
![(Z)-3-(3,4-dimethoxyphenyl)-3-[3-(phenylthio)propylamino]-2-propenoic acid methyl ester](/api/spectrum/90ODaUyRRyY/structure.png?h=300&w=458 "(Z)-3-(3,4-dimethoxyphenyl)-3-[3-(phenylthio)propylamino]-2-propenoic acid methyl ester")
