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7-Mercapto-4-methylcoumarin, S-acetyl-

View entire compound with spectra: 1 FTIR

7-Mercapto-4-methylcoumarin, S-acetyl-
SpectraBase Compound ID 99XkIlFRYwB
InChI InChI=1S/C12H10O3S/c1-7-5-12(14)15-11-6-9(16-8(2)13)3-4-10(7)11/h3-6H,1-2H3
InChIKey ZPTMISMHIPBDGM-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C12H10O3S
Exact Mass 234.035065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ILpxElLcPOl
Name 7-Mercapto-4-methylcoumarin, S-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.035065353 u
Formula C12H10O3S
InChI InChI=1S/C12H10O3S/c1-7-5-12(14)15-11-6-9(16-8(2)13)3-4-10(7)11/h3-6H,1-2H3
InChIKey ZPTMISMHIPBDGM-UHFFFAOYSA-N
Molecular Weight 234.269 g/mol
SMILES C1(SC(C)=O)=CC2=C(C=C1)C(=CC(O2)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931088