SpectraBase Spectrum ID |
KcxdwZbhWsP |
Name |
.alpha.-[Chloromethyl]-2-phenothiazinemethanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
277.032812883 u |
Formula |
C14H12ClNOS |
InChI |
InChI=1S/C14H12ClNOS/c15-8-12(17)9-5-6-14-11(7-9)16-10-3-1-2-4-13(10)18-14/h1-7,12,16-17H,8H2 |
InChIKey |
XVOWMQKHUZXOCZ-UHFFFAOYSA-N |
SMILES |
C1=2NC3=C(SC2C=CC=C1)C=CC(=C3)C(O)CCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889366 |