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7-Amino-10-mercapto-6-oxo-8-benzo[c][1]benzopyrancarboxaldehyde
SpectraBase Compound ID 6gtueP3OMyd
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
Mol Weight 271.29 g/mol
Molecular Formula C14H9NO3S
Exact Mass 271.030314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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