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3H-Azecino[5,4-b]indole-3-carbonitrile, 1,2,4,5,6,7,8,9-octahydro-8-methoxy-6-[[(methylsulfonyl)oxy]methyl]-, (6R*,8R*)-(.+-.)-
SpectraBase Compound ID HWu5dZ37t9I
InChI InChI=1S/C19H25N3O4S/c1-25-18-11-14(12-26-27(2,23)24)7-9-22(13-20)10-8-16-15-5-3-4-6-17(15)21-19(16)18/h3-6,14,18,21H,7-12H2,1-2H3/t14-,18-/m1/s1
InChIKey NKPCETSLENQQQT-RDTXWAMCSA-N
Mol Weight 391.49 g/mol
Molecular Formula C19H25N3O4S
Exact Mass 391.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6X5haF9caod
Name 3H-Azecino[5,4-b]indole-3-carbonitrile, 1,2,4,5,6,7,8,9-octahydro-8-methoxy-6-[[(methylsulfonyl)oxy]methyl]-, (6R*,8R*)-(.+-.)-
CAS Registry Number 80249-07-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25N3O4S
InChI InChI=1S/C19H25N3O4S/c1-25-18-11-14(12-26-27(2,23)24)7-9-22(13-20)10-8-16-15-5-3-4-6-17(15)21-19(16)18/h3-6,14,18,21H,7-12H2,1-2H3/t14-,18-/m1/s1
InChIKey NKPCETSLENQQQT-RDTXWAMCSA-N
Molecular Weight 391.486 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](C[C@@](CCN(CC2)C#N)(COS(=O)(=O)C)[H])(OC)[H]
SPLASH splash10-00kf-0933000000-398c70bc74db7267edbd
Source of Spectrum F-37-1554-0
Synonyms 3-Cyano-6(R)-methanesulphonyloxymethyl-8(R)-methoxy-1,2,3,4,5,6,7,8-octahydro-9H-azecino[5,4-b]indole [(6R,8R)-3-cyano-8-methoxy-2,3,4,5,6,7,8,9-octahydro-1H-azecino[5,4-b]indol-6-yl]methyl methanesulfonate
Wiley ID 1365304