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3,4,5,6-Tetrahydro-4-phenylthio-3-methoxycarbonyl-2H-naphtho[1,2-b]thiopyran
SpectraBase Compound ID IKgQ2gq4xSk
InChI InChI=1S/C21H20O2S2/c1-23-21(22)18-13-24-19-16-10-6-5-7-14(16)11-12-17(19)20(18)25-15-8-3-2-4-9-15/h2-10,18,20H,11-13H2,1H3
InChIKey LBGCKJKNBFVXSF-UHFFFAOYSA-N
Mol Weight 368.51 g/mol
Molecular Formula C21H20O2S2
Exact Mass 368.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8TCHRgBOmu
Name 3,4,5,6-Tetrahydro-4-phenylthio-3-methoxycarbonyl-2H-naphtho[1,2-b]thiopyran
Alternate Name(s) Methyl 4-(phenylsulfanyl)-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]thiopyran-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O2S2
InChI InChI=1S/C21H20O2S2/c1-23-21(22)18-13-24-19-16-10-6-5-7-14(16)11-12-17(19)20(18)25-15-8-3-2-4-9-15/h2-10,18,20H,11-13H2,1H3
InChIKey LBGCKJKNBFVXSF-UHFFFAOYSA-N
Molecular Weight 368.509 g/mol
SMILES C12=C(SCC(C2Sc2ccccc2)C(=O)OC)c2ccccc2CC1
SPLASH splash10-0295-0930000000-a974ef177dd77e598b60
Source of Spectrum AJ-65-2059-2
Wiley ID 771485