| SpectraBase Compound ID | KhVJ9RhhWJ1 |
|---|---|
| InChI | InChI=1S/C14H10N2O2S/c17-16(18)11-5-3-4-10(8-11)13-9-19-14-7-2-1-6-12(14)15-13/h1-8H,9H2 |
| InChIKey | QKAFJSSCERKVFO-UHFFFAOYSA-N |
| Mol Weight | 270.31 g/mol |
| Molecular Formula | C14H10N2O2S |
| Exact Mass | 270.046299 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3by9lavPjpS |
|---|---|
| Name | 3-(3'-Nitrophenyl)-2H-1,4-benzothiazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.046298742 u |
| Formula | C14H10N2O2S |
| InChI | InChI=1S/C14H10N2O2S/c17-16(18)11-5-3-4-10(8-11)13-9-19-14-7-2-1-6-12(14)15-13/h1-8H,9H2 |
| InChIKey | QKAFJSSCERKVFO-UHFFFAOYSA-N |
| SMILES | C1SC=2C(N=C1C=1C=C(C=CC1)[N+](=O)[O-])=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851293 |