| SpectraBase Spectrum ID |
EOo2baJW0pq |
| Name |
2-Tert-butylthio-5-nitrobenzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.061614454 u |
| Formula |
C11H13NO3S |
| InChI |
InChI=1S/C11H13NO3S/c1-11(2,3)16-10-5-4-9(12(14)15)6-8(10)7-13/h4-7H,1-3H3 |
| InChIKey |
OSAHAKZGIIQAFL-UHFFFAOYSA-N |
| Molecular Weight |
239.289 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(C=O)C(=CC1)SC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844612 |
