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(Z)-2-tert-Butyl-4-phenyl-1-(p-tolylsulfinyl)but-1-en-3-yne
SpectraBase Compound ID YmPqTmFAdp
InChI InChI=1S/C21H22OS/c1-17-10-14-20(15-11-17)23(22)16-19(21(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-16H,1-4H3/b19-16+
InChIKey ABQMVCVCHYXFHC-KNTRCKAVSA-N
Mol Weight 322.47 g/mol
Molecular Formula C21H22OS
Exact Mass 322.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DzTyUODKnq
Name (Z)-2-tert-Butyl-4-phenyl-1-(p-tolylsulfinyl)but-1-en-3-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22OS
InChI InChI=1S/C21H22OS/c1-17-10-14-20(15-11-17)23(22)16-19(21(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-16H,1-4H3/b19-16+
InChIKey ABQMVCVCHYXFHC-KNTRCKAVSA-N
Molecular Weight 322.466 g/mol
SMILES C(\C(=C/S(c1ccc(cc1)C)=O)C(C)(C)C)#Cc1ccccc1
SPLASH splash10-0a4k-1911000000-07d86110ebb14c2d7849
Source of Spectrum F-67-3089-35
Wiley ID 1686350