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(Z)-N-((E)-1-cyclohexyl-4-(cyclohexylimino)-3-(p-tolyl)azetidin-2-ylidene)-4-methylbenzenesulfonamide
SpectraBase Compound ID 17rRqvsmznD
InChI InChI=1S/C29H37N3O2S/c1-21-13-17-23(18-14-21)27-28(30-24-9-5-3-6-10-24)32(25-11-7-4-8-12-25)29(27)31-35(33,34)26-19-15-22(2)16-20-26/h13-20,24-25,27H,3-12H2,1-2H3/b30-28+,31-29-
InChIKey WGZIGDBKQVRKDK-MCDSGTGBSA-N
Mol Weight 491.7 g/mol
Molecular Formula C29H37N3O2S
Exact Mass 491.260649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 569C4TDpDyp
Name (Z)-N-((E)-1-cyclohexyl-4-(cyclohexylimino)-3-(p-tolyl)azetidin-2-ylidene)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37N3O2S
InChI InChI=1S/C29H37N3O2S/c1-21-13-17-23(18-14-21)27-28(30-24-9-5-3-6-10-24)32(25-11-7-4-8-12-25)29(27)31-35(33,34)26-19-15-22(2)16-20-26/h13-20,24-25,27H,3-12H2,1-2H3/b30-28+,31-29-
InChIKey WGZIGDBKQVRKDK-MCDSGTGBSA-N
Literature Reference DOI 10.1021/ol070485x
Molecular Weight 491.694 g/mol
SMILES C1(\C(=N\S(=O)(=O)c2ccc(cc2)C)N(C2CCCCC2)\C1=N/C1CCCCC1)c1ccc(cc1)C
SPLASH splash10-01qc-6962100000-e105bb73ce3da704222d
Source of Spectrum A1-9-1585/SMS3-4d
Wiley ID 1758111