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3-Phenyl-5,7-di(thiophen-3-yl)-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID G6SVjzZvceA
InChI InChI=1S/C27H23NO2S3/c1-20-7-9-26(10-8-20)33(29,30)28-17-25(21-5-3-2-4-6-21)15-24(22-11-13-31-18-22)16-27(28)23-12-14-32-19-23/h2-16,18-19,25H,17H2,1H3
InChIKey DKPIQFYVAWUVCO-UHFFFAOYSA-N
Mol Weight 489.67 g/mol
Molecular Formula C27H23NO2S3
Exact Mass 489.089093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGmIpAWlwFO
Name 3-Phenyl-5,7-di(thiophen-3-yl)-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NO2S3
InChI InChI=1S/C27H23NO2S3/c1-20-7-9-26(10-8-20)33(29,30)28-17-25(21-5-3-2-4-6-21)15-24(22-11-13-31-18-22)16-27(28)23-12-14-32-19-23/h2-16,18-19,25H,17H2,1H3
InChIKey DKPIQFYVAWUVCO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310944
Molecular Weight 489.666 g/mol
SMILES C1(=CC(CN(C(c2cscc2)=C1)S(c1ccc(cc1)C)(=O)=O)c1ccccc1)c1cscc1
SPLASH splash10-001i-3009100000-a10719a683609ad45fbb
Source of Spectrum ACI-53-SM-10
Wiley ID 1782159