| SpectraBase Spectrum ID |
F1JFpVzRXE4 |
| Name |
Ethanethioic acid, S-[1-(3-butenyl)-5-oxo-2-pyrrolidinyl]ester, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.082349899 u |
| Formula |
C10H15NO2S |
| InChI |
InChI=1S/C10H15NO2S/c1-3-4-7-11-9(13)5-6-10(11)14-8(2)12/h3,10H,1,4-7H2,2H3 |
| InChIKey |
VWTRBQSTLACTEZ-UHFFFAOYSA-N |
| Molecular Weight |
213.295 g/mol |
| SMILES |
C1(N(C(CC1)=O)CCC=C)SC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971516 |
![Ethanethioic acid, S-[1-(3-butenyl)-5-oxo-2-pyrrolidinyl]ester, (.+-.)-](/api/spectrum/F1JFpVzRXE4/structure.png?h=300&w=458 "Ethanethioic acid, S-[1-(3-butenyl)-5-oxo-2-pyrrolidinyl]ester, (.+-.)-")
