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3,4-Diphenyl-5,6-dihydrobenzo[h]thiochroman
SpectraBase Compound ID 4U3anxTaVLO
InChI InChI=1S/C25H22S/c1-3-9-18(10-4-1)23-17-26-25-21-14-8-7-11-19(21)15-16-22(25)24(23)20-12-5-2-6-13-20/h1-14,23-24H,15-17H2
InChIKey ZWWLXLWSMUPXBE-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C25H22S
Exact Mass 354.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mE2iAsMyl7
Name 3,4-Diphenyl-5,6-dihydrobenzo[h]thiochroman
Alternate Name(s) 3,4-diphenyl-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]thiopyran
CAS Registry Number 71436-27-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22S
InChI InChI=1S/C25H22S/c1-3-9-18(10-4-1)23-17-26-25-21-14-8-7-11-19(21)15-16-22(25)24(23)20-12-5-2-6-13-20/h1-14,23-24H,15-17H2
InChIKey ZWWLXLWSMUPXBE-UHFFFAOYSA-N
Molecular Weight 354.511 g/mol
SMILES C12=C(SCC(C2c2ccccc2)c2ccccc2)c2ccccc2CC1
SPLASH splash10-0f6t-0091000000-72b3f1b9971e0fb52dd3
Source of Spectrum J-44-4154-0
Wiley ID 1345036