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1-Naphthalenebutanoic acid, 6-methoxy-.alpha.,.alpha.-bis(phenylthio)-, methyl ester
SpectraBase Compound ID E9yA4jkJFMr
InChI InChI=1S/C28H26O3S2/c1-30-23-16-17-26-21(10-9-11-22(26)20-23)18-19-28(27(29)31-2,32-24-12-5-3-6-13-24)33-25-14-7-4-8-15-25/h3-17,20H,18-19H2,1-2H3
InChIKey SPEIZMNPQLZTEU-UHFFFAOYSA-N
Mol Weight 474.63 g/mol
Molecular Formula C28H26O3S2
Exact Mass 474.132337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21vn4gczp2
Name 1-Naphthalenebutanoic acid, 6-methoxy-.alpha.,.alpha.-bis(phenylthio)-, methyl ester
CAS Registry Number 54002-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26O3S2
InChI InChI=1S/C28H26O3S2/c1-30-23-16-17-26-21(10-9-11-22(26)20-23)18-19-28(27(29)31-2,32-24-12-5-3-6-13-24)33-25-14-7-4-8-15-25/h3-17,20H,18-19H2,1-2H3
InChIKey SPEIZMNPQLZTEU-UHFFFAOYSA-N
Molecular Weight 474.633 g/mol
SMILES C(C(=O)OC)(Sc1ccccc1)(Sc1ccccc1)CCc1c2c(cc(cc2)OC)ccc1
SPLASH splash10-00lr-0960000000-7f0efa4e85c4514b79d1
Source of Spectrum C-98-4898-0
Synonyms Ethyl 4-(6'-methoxy-1'-naphthyl)2,2-diphenylthiobutyrate Methyl 4-(6-methoxy-1-naphthyl)-2,2-bis(phenylsulfanyl)butanoate
Wiley ID 1393934