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3,3,4-Triphenyl-5,6-dihydrobenzo(H)thiochroman-2-one
SpectraBase Compound ID Ju7xs7VJlww
InChI InChI=1S/C31H24OS/c32-30-31(24-15-6-2-7-16-24,25-17-8-3-9-18-25)28(23-13-4-1-5-14-23)27-21-20-22-12-10-11-19-26(22)29(27)33-30/h1-19,28H,20-21H2
InChIKey TZNNXBDXVLLRKI-UHFFFAOYSA-N
Mol Weight 444.59 g/mol
Molecular Formula C31H24OS
Exact Mass 444.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JGeXNaLjaj
Name 3,3,4-Triphenyl-5,6-dihydrobenzo(H)thiochroman-2-one
CAS Registry Number 72478-74-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24OS
InChI InChI=1S/C31H24OS/c32-30-31(24-15-6-2-7-16-24,25-17-8-3-9-18-25)28(23-13-4-1-5-14-23)27-21-20-22-12-10-11-19-26(22)29(27)33-30/h1-19,28H,20-21H2
InChIKey TZNNXBDXVLLRKI-UHFFFAOYSA-N
Molecular Weight 444.592 g/mol
SMILES C12=C(C(c3ccccc3)C(C(S1)=O)(c1ccccc1)c1ccccc1)CCc1c2cccc1
SPLASH splash10-0udm-0390000000-6800cb2012a79e0547ef
Source of Spectrum J-45-929-0
Synonyms 3,3,4-triphenyl-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]thiopyran-2-one
Wiley ID 1386255