| SpectraBase Spectrum ID |
X4vTFxOTTN |
| Name |
2-Diethylamino-3H-phenothiazin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.098334316 u |
| Formula |
C16H16N2OS |
| InChI |
InChI=1S/C16H16N2OS/c1-3-18(4-2)13-9-12-16(10-14(13)19)20-15-8-6-5-7-11(15)17-12/h5-10H,3-4H2,1-2H3 |
| InChIKey |
DJLGVINHIZGASC-UHFFFAOYSA-N |
| SMILES |
C1=2SC=3C(=NC2C=CC=C1)C=C(C(C3)=O)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813372 |
