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N-[Phenyl-1-(2'-phenylethynyl)cyclopropyl)methyl]p-toluenesulfanamide
SpectraBase Compound ID 2cXN25EVlkc
InChI InChI=1S/C25H23NO2S/c1-20-11-13-23(14-12-20)29(27,28)26-19-22-9-5-6-10-24(22)25(17-18-25)16-15-21-7-3-2-4-8-21/h2-14,26H,17-19H2,1H3
InChIKey HMQMYEPNRCNZCS-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C25H23NO2S
Exact Mass 401.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AUgtqgW6Yv
Name N-[Phenyl-1-(2'-phenylethynyl)cyclopropyl)methyl]p-toluenesulfanamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23NO2S
InChI InChI=1S/C25H23NO2S/c1-20-11-13-23(14-12-20)29(27,28)26-19-22-9-5-6-10-24(22)25(17-18-25)16-15-21-7-3-2-4-8-21/h2-14,26H,17-19H2,1H3
InChIKey HMQMYEPNRCNZCS-UHFFFAOYSA-N
Molecular Weight 401.524 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)Cc1c(C2(C#Cc3ccccc3)CC2)cccc1
SPLASH splash10-03di-0090000000-ce5b059ee4ec000e6060
Source of Spectrum F-62-2773-5
Wiley ID 1632589