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7-(3-Bromophenyl)-3,5-diphenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID 3gjc0QMOTq
InChI InChI=1S/C31H26BrNO2S/c1-23-15-17-30(18-16-23)36(34,35)33-22-28(25-11-6-3-7-12-25)19-27(24-9-4-2-5-10-24)21-31(33)26-13-8-14-29(32)20-26/h2-21,28H,22H2,1H3
InChIKey DFTVOTUKCLOWMS-UHFFFAOYSA-N
Mol Weight 556.52 g/mol
Molecular Formula C31H26BrNO2S
Exact Mass 555.086763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jq1fDiIFS4s
Name 7-(3-Bromophenyl)-3,5-diphenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26BrNO2S
InChI InChI=1S/C31H26BrNO2S/c1-23-15-17-30(18-16-23)36(34,35)33-22-28(25-11-6-3-7-12-25)19-27(24-9-4-2-5-10-24)21-31(33)26-13-8-14-29(32)20-26/h2-21,28H,22H2,1H3
InChIKey DFTVOTUKCLOWMS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 556.518 g/mol
SMILES C1N(C(=CC(c2ccccc2)=CC1c1ccccc1)c1cccc(c1)Br)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0udi-1000900000-cc8ccd21d31f9d5fb6b5
Source of Spectrum ACI-52-SM-11
Wiley ID 1781792