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1-Naphthalenebutanoic acid, 6-methoxy-.alpha.-(phenylthio)-, methyl ester
SpectraBase Compound ID 6zNbnimUIx7
InChI InChI=1S/C22H22O3S/c1-24-18-12-13-20-16(7-6-8-17(20)15-18)11-14-21(22(23)25-2)26-19-9-4-3-5-10-19/h3-10,12-13,15,21H,11,14H2,1-2H3
InChIKey JQTHTYURWKZGMG-UHFFFAOYSA-N
Mol Weight 366.48 g/mol
Molecular Formula C22H22O3S
Exact Mass 366.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMN7icnANeP
Name 1-Naphthalenebutanoic acid, 6-methoxy-.alpha.-(phenylthio)-, methyl ester
CAS Registry Number 60774-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O3S
InChI InChI=1S/C22H22O3S/c1-24-18-12-13-20-16(7-6-8-17(20)15-18)11-14-21(22(23)25-2)26-19-9-4-3-5-10-19/h3-10,12-13,15,21H,11,14H2,1-2H3
InChIKey JQTHTYURWKZGMG-UHFFFAOYSA-N
Molecular Weight 366.475 g/mol
SMILES C(C(Sc1ccccc1)CCc1c2c(cc(cc2)OC)ccc1)(=O)OC
SPLASH splash10-00fr-0910000000-3ecd3aa70b57e39bd889
Source of Spectrum C-98-4897-0
Synonyms Methyl 2-(phenylthio)-4-(6'-methoxy-1'-naphthyl)butanoate Methyl 4-(6-methoxy-1-naphthyl)-2-(phenylsulfanyl)butanoate
Wiley ID 1352119