| SpectraBase Spectrum ID |
KKYN582hDHy |
| Name |
N-(3,4,5-Trimethoxyphenyl)-3,5-dinitrobenzothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.063071002 u |
| Formula |
C16H15N3O7S |
| InChI |
InChI=1S/C16H15N3O7S/c1-24-13-6-10(7-14(25-2)15(13)26-3)17-16(27)9-4-11(18(20)21)8-12(5-9)19(22)23/h4-8H,1-3H3,(H,17,27) |
| InChIKey |
AFRCFMCDCRCXTR-UHFFFAOYSA-N |
| Molecular Weight |
393.370 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=CC(C(NC=2C=C(OC)C(=C(C2)OC)OC)=S)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912223 |
