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2-(4,4-Diphenyl-1-tosylpyrrolidin-2-yl)but-3-enenitrile
SpectraBase Compound ID 79YbdH7PG46
InChI InChI=1S/C27H26N2O2S/c1-3-22(19-28)26-18-27(23-10-6-4-7-11-23,24-12-8-5-9-13-24)20-29(26)32(30,31)25-16-14-21(2)15-17-25/h3-17,22,26H,1,18,20H2,2H3
InChIKey MYUSVPWUZJPAKY-UHFFFAOYSA-N
Mol Weight 442.58 g/mol
Molecular Formula C27H26N2O2S
Exact Mass 442.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgS4ws6Gpwp
Name 2-(4,4-Diphenyl-1-tosylpyrrolidin-2-yl)but-3-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N2O2S
InChI InChI=1S/C27H26N2O2S/c1-3-22(19-28)26-18-27(23-10-6-4-7-11-23,24-12-8-5-9-13-24)20-29(26)32(30,31)25-16-14-21(2)15-17-25/h3-17,22,26H,1,18,20H2,2H3
InChIKey MYUSVPWUZJPAKY-UHFFFAOYSA-N
Molecular Weight 442.577 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)CC(C1)(c1ccccc1)c1ccccc1)C(C#N)C=C
SPLASH splash10-0ku7-3912000000-aa7d839058d7d199b17a
Source of Spectrum U1-2013-4868-14a'
Wiley ID 1736028