SpectraBase Spectrum ID |
FwuKGnOm3oC |
Name |
7-Amino-10-mercapto-6-oxo-8-benzo[C][1]benzopyrancarboxaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
271.030314325 u |
Formula |
C14H9NO3S |
InChI |
InChI=1S/C14H9NO3S/c15-13-7(6-16)5-10(19)11-8-3-1-2-4-9(8)18-14(17)12(11)13/h1-6,19H,15H2 |
InChIKey |
GROMCKJLHZPJAS-UHFFFAOYSA-N |
Molecular Weight |
271.290 g/mol |
SMILES |
C1(C=2C(C=3C=CC=CC3O1)=C(C=C(C2N)C=O)S)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950108 |