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3-Cyclohexene-1-carbothioic acid, 4-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-oxo-, S-(phenylmethyl) ester, (E)-

View entire compound with spectra: 1 FTIR

3-Cyclohexene-1-carbothioic acid, 4-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-oxo-, S-(phenylmethyl) ester, (E)-
SpectraBase Compound ID CANweu4mLWl
InChI InChI=1S/C21H24ClNO4S/c1-2-7-17(23-27-11-6-10-22)20-18(24)12-16(13-19(20)25)21(26)28-14-15-8-4-3-5-9-15/h3-6,8-10,16,24H,2,7,11-14H2,1H3/b10-6+,23-17?
InChIKey UNEXAVZJISYJNA-RPCSHNDJSA-N
Mol Weight 421.94 g/mol
Molecular Formula C21H24ClNO4S
Exact Mass 421.111457 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ESgeUXobmJ2
Name 3-Cyclohexene-1-carbothioic acid, 4-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-oxo-, S-(phenylmethyl) ester, (E)-
CAS Registry Number 120074-45-5
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H24ClNO4S
InChI InChI=1S/C21H24ClNO4S/c1-2-7-17(23-27-11-6-10-22)20-18(24)12-16(13-19(20)25)21(26)28-14-15-8-4-3-5-9-15/h3-6,8-10,16,24H,2,7,11-14H2,1H3/b10-6+,23-17?
InChIKey UNEXAVZJISYJNA-RPCSHNDJSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique Film