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3-Cyclohexene-1-carbothioic acid, 3-hydroxy-5-oxo-4-(1-oxobutyl)-,S-(phenylmethyl) ester

View entire compound with spectra: 1 FTIR

3-Cyclohexene-1-carbothioic acid, 3-hydroxy-5-oxo-4-(1-oxobutyl)-,S-(phenylmethyl) ester
SpectraBase Compound ID 4fDTjGUe4lc
InChI InChI=1S/C18H20O4S/c1-2-6-14(19)17-15(20)9-13(10-16(17)21)18(22)23-11-12-7-4-3-5-8-12/h3-5,7-8,13,20H,2,6,9-11H2,1H3
InChIKey PTRBDYVSLPRADG-UHFFFAOYSA-N
Mol Weight 332.41 g/mol
Molecular Formula C18H20O4S
Exact Mass 332.10823 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Imwjms7x9Wj
Name 3-Cyclohexene-1-carbothioic acid, 3-hydroxy-5-oxo-4-(1-oxobutyl)-,S-(phenylmethyl) ester
CAS Registry Number 120074-17-1
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20O4S
InChI InChI=1S/C18H20O4S/c1-2-6-14(19)17-15(20)9-13(10-16(17)21)18(22)23-11-12-7-4-3-5-8-12/h3-5,7-8,13,20H,2,6,9-11H2,1H3
InChIKey PTRBDYVSLPRADG-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique Film