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10-Benzyl-11-oxo-5a,6,7,8,9,9a,10,11-octahydrodibenzo[b,f][1,4]thiazepin-9a-(N-cyclohexylcarboxamide)
SpectraBase Compound ID 5ubLQ5hciwb
InChI InChI=1S/C27H32N2O2S/c30-25-22-15-7-8-16-23(22)32-24-17-9-10-18-27(24,26(31)28-21-13-5-2-6-14-21)29(25)19-20-11-3-1-4-12-20/h1,3-4,7-8,11-12,15-16,21,24H,2,5-6,9-10,13-14,17-19H2,(H,28,31)
InChIKey NLCGHCAVTKODQF-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H32N2O2S
Exact Mass 448.218449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdYGEjkxEOW
Name 10-Benzyl-11-oxo-5a,6,7,8,9,9a,10,11-octahydrodibenzo[b,f][1,4]thiazepin-9a-(N-cyclohexylcarboxamide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2O2S
InChI InChI=1S/C27H32N2O2S/c30-25-22-15-7-8-16-23(22)32-24-17-9-10-18-27(24,26(31)28-21-13-5-2-6-14-21)29(25)19-20-11-3-1-4-12-20/h1,3-4,7-8,11-12,15-16,21,24H,2,5-6,9-10,13-14,17-19H2,(H,28,31)
InChIKey NLCGHCAVTKODQF-UHFFFAOYSA-N
Molecular Weight 448.625 g/mol
SMILES N(C(C12N(C(c3ccccc3SC2CCCC1)=O)Cc1ccccc1)=O)C1CCCCC1
SPLASH splash10-00dl-4009000000-5e054e12b8e8bb0d9479
Source of Spectrum F-68-3318-11
Wiley ID 1572363