4,5-Dihydro-4,5-dioxoindeno[1,2-b]thiopyran-3-carbaldehyde - - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	Hm8JJb0yfYA
InChI	InChI=1S/C13H6O3S/c14-5-7-6-17-13-9-4-2-1-3-8(9)12(16)10(13)11(7)15/h1-6H
InChIKey	CBDVPACJZAQQAL-UHFFFAOYSA-N Google Search
Mol Weight	242.25 g/mol
Molecular Formula	C13H6O3S
Exact Mass	242.003765 g/mol

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SpectraBase Spectrum ID	LNYW8l1lwZm
Name	4,5-Dihydro-4,5-dioxoindeno[1,2-B]thiopyran-3-carbaldehyde -
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	242.003765224 u
Formula	C13H6O3S
InChI	InChI=1S/C13H6O3S/c14-5-7-6-17-13-9-4-2-1-3-8(9)12(16)10(13)11(7)15/h1-6H
InChIKey	CBDVPACJZAQQAL-UHFFFAOYSA-N
Molecular Weight	242.248 g/mol
SMILES	C12=C(SC=C(C2=O)C=O)C2=CC=CC=C2C1=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.967071