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3,3-Dibenzyl-5(t-butyl)-2(3H)-thiophenone
SpectraBase Compound ID 9pwlzyg9EX5
InChI InChI=1S/C22H24OS/c1-21(2,3)19-16-22(20(23)24-19,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3
InChIKey NHIMXGSZIXPIDL-UHFFFAOYSA-N
Mol Weight 336.49 g/mol
Molecular Formula C22H24OS
Exact Mass 336.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhPUtc1POmu
Name 3,3-Dibenzyl-5(t-butyl)-2(3H)-thiophenone
Alternate Name(s) 3,3-dibenzyl-5-tert-butyl-2(3H)-thiophenone
CAS Registry Number 142396-76-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24OS
InChI InChI=1S/C22H24OS/c1-21(2,3)19-16-22(20(23)24-19,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3
InChIKey NHIMXGSZIXPIDL-UHFFFAOYSA-N
Molecular Weight 336.493 g/mol
SMILES C1(C(SC(=C1)C(C)(C)C)=O)(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9002000000-320923ce01e26c162022
Source of Spectrum K-125-2315-7
Wiley ID 1332742