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6H-Azocino[4,3-b]indol-6-one, 1,2,3,4,5,7-hexahydro-2-(phenylmethyl)-7-(phenylsulfonyl)-
SpectraBase Compound ID KaBQq4Nkvzk
InChI InChI=1S/C26H24N2O3S/c29-25-16-9-17-27(18-20-10-3-1-4-11-20)19-23-22-14-7-8-15-24(22)28(26(23)25)32(30,31)21-12-5-2-6-13-21/h1-8,10-15H,9,16-19H2
InChIKey OYQBKZCBECMFDP-UHFFFAOYSA-N
Mol Weight 444.55 g/mol
Molecular Formula C26H24N2O3S
Exact Mass 444.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0Aq4FHy0Us
Name 6H-Azocino[4,3-b]indol-6-one, 1,2,3,4,5,7-hexahydro-2-(phenylmethyl)-7-(phenylsulfonyl)-
CAS Registry Number 112565-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O3S
InChI InChI=1S/C26H24N2O3S/c29-25-16-9-17-27(18-20-10-3-1-4-11-20)19-23-22-14-7-8-15-24(22)28(26(23)25)32(30,31)21-12-5-2-6-13-21/h1-8,10-15H,9,16-19H2
InChIKey OYQBKZCBECMFDP-UHFFFAOYSA-N
Molecular Weight 444.549 g/mol
SMILES c1(S([n]2c3c(CN(Cc4ccccc4)CCCC3=O)c3c2cccc3)(=O)=O)ccccc1
SPLASH splash10-0f6x-9305000000-1e384ee706b18cb6995a
Source of Spectrum KC-1987-1603-2
Synonyms 2-Benzyl-1,2,3,4-tetrahydro-7-phenylsulphonylazocino[4,3b]indol-6(5H)-one 2-Benzyl-7-(phenylsulfonyl)-1,2,3,4,5,7-hexahydro-6H-azocino[4,3-b]indol-6-one
Wiley ID 1386055