SpectraBase Spectrum ID |
BJPIneSd47Q |
Name |
4-(4-Methylidene-4H-3,1-benzothiazin-2-yl)-benzene-1,3-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.051049770 u |
Formula |
C15H11NO2S |
InChI |
InChI=1S/C15H11NO2S/c1-9-11-4-2-3-5-13(11)16-15(19-9)12-7-6-10(17)8-14(12)18/h2-8,17-18H,1H2 |
InChIKey |
PCLFRQUPDXIFHP-UHFFFAOYSA-N |
SMILES |
C=1(C(=CC(=CC1)O)O)C1=NC2=CC=CC=C2C(S1)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972259 |