| SpectraBase Spectrum ID |
CcmXaXDTW24 |
| Name |
2-{[(2,3-dioxoindol-1-yl)methyl]sulfanyl}acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.030648678 u |
| Formula |
C11H8N2O2S |
| InChI |
InChI=1S/C11H8N2O2S/c12-5-6-16-7-13-9-4-2-1-3-8(9)10(14)11(13)15/h1-4H,6-7H2 |
| InChIKey |
DGURNCGFZTZDEY-UHFFFAOYSA-N |
| Molecular Weight |
232.257 g/mol |
| SMILES |
C1=CC2=C(C=C1)N(CSCC#N)C(C2=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964029 |
![2-{[(2,3-dioxoindol-1-yl)methyl]sulfanyl}acetonitrile](/api/spectrum/CcmXaXDTW24/structure.png?h=300&w=458 "2-{[(2,3-dioxoindol-1-yl)methyl]sulfanyl}acetonitrile")
