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3-Butyl-4-hydroxy-7-methyl-1-thiocoumarin

View entire compound with spectra: 1 FTIR, and 1 Raman

3-Butyl-4-hydroxy-7-methyl-1-thiocoumarin
SpectraBase Compound ID 6V7OpDJn3ah
InChI InChI=1S/C14H16O2S/c1-3-4-5-11-13(15)10-7-6-9(2)8-12(10)17-14(11)16/h6-8,15H,3-5H2,1-2H3
InChIKey ZAFOYSDTMRYUJY-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Bs68iu1kzLE
Name 3-Butyl-4-hydroxy-7-methyl-1-thiocoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.087100927 u
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-3-4-5-11-13(15)10-7-6-9(2)8-12(10)17-14(11)16/h6-8,15H,3-5H2,1-2H3
InChIKey ZAFOYSDTMRYUJY-UHFFFAOYSA-N
Molecular Weight 248.340 g/mol
SMILES OC=1C=2C=CC(C)=CC2SC(C1CCCC)=O
Spectrum/Structure Validation Score (Raman) 0.71223