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5,7-Dicyclopropyl-3-phenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID Hd1mdHUcQpR
InChI InChI=1S/C25H27NO2S/c1-18-7-13-24(14-8-18)29(27,28)26-17-23(19-5-3-2-4-6-19)15-22(20-9-10-20)16-25(26)21-11-12-21/h2-8,13-16,20-21,23H,9-12,17H2,1H3
InChIKey NPSAWLMYWACYRY-UHFFFAOYSA-N
Mol Weight 405.56 g/mol
Molecular Formula C25H27NO2S
Exact Mass 405.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2DpV82u1n7
Name 5,7-Dicyclopropyl-3-phenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO2S
InChI InChI=1S/C25H27NO2S/c1-18-7-13-24(14-8-18)29(27,28)26-17-23(19-5-3-2-4-6-19)15-22(20-9-10-20)16-25(26)21-11-12-21/h2-8,13-16,20-21,23H,9-12,17H2,1H3
InChIKey NPSAWLMYWACYRY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310944
Molecular Weight 405.556 g/mol
SMILES C=1(C=C(N(S(c2ccc(cc2)C)(=O)=O)CC(c2ccccc2)C1)C1CC1)C1CC1
SPLASH splash10-0udi-3090000000-49f41e97b6693832e9a4
Source of Spectrum ACI-53-SM-11
Wiley ID 1782160