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1-Benzothiophene-3-carboxylic acid, 2-[[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]methyl]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 4CiGvzAgde9
InChI InChI=1S/C20H23ClO6S2/c1-4-27-20(22)19-12-7-5-6-8-16(12)28-17(19)11-29(23,24)18-10-14(25-2)13(21)9-15(18)26-3/h9-10H,4-8,11H2,1-3H3
InChIKey SFNDEWAJXOGAJB-UHFFFAOYSA-N
Mol Weight 458.97 g/mol
Molecular Formula C20H23ClO6S2
Exact Mass 458.062459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEZxD8j2LkW
Name 1-Benzothiophene-3-carboxylic acid, 2-[[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]methyl]-4,5,6,7-tetrahydro-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClO6S2
InChI InChI=1S/C20H23ClO6S2/c1-4-27-20(22)19-12-7-5-6-8-16(12)28-17(19)11-29(23,24)18-10-14(25-2)13(21)9-15(18)26-3/h9-10H,4-8,11H2,1-3H3
InChIKey SFNDEWAJXOGAJB-UHFFFAOYSA-N
Molecular Weight 458.971 g/mol
SMILES c1c(OC)c(cc(OC)c1Cl)S(Cc1c(c2c(s1)CCCC2)C(OCC)=O)(=O)=O
SPLASH splash10-00b9-9820000000-c09814822fc61d4fc5a0
Source of Spectrum IY-1-4692-4
Wiley ID 1654907