For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3H-Azecino[5,4-b]indole-3-carbonitrile, 1,2,4,5,6,7,8,9-octahydro-6-(hydroxymethyl)-8-methoxy-, (6R*,8R*)-(.+-.)-
SpectraBase Compound ID FjSUJTjj3Vy
InChI InChI=1S/C18H23N3O2/c1-23-17-10-13(11-22)6-8-21(12-19)9-7-15-14-4-2-3-5-16(14)20-18(15)17/h2-5,13,17,20,22H,6-11H2,1H3/t13-,17-/m1/s1
InChIKey HBQNJMPXMDOEBA-CXAGYDPISA-N
Mol Weight 313.4 g/mol
Molecular Formula C18H23N3O2
Exact Mass 313.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8jUxE692q5c
Name 3H-Azecino[5,4-b]indole-3-carbonitrile, 1,2,4,5,6,7,8,9-octahydro-6-(hydroxymethyl)-8-methoxy-, (6R*,8R*)-(.+-.)-
CAS Registry Number 80249-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O2
InChI InChI=1S/C18H23N3O2/c1-23-17-10-13(11-22)6-8-21(12-19)9-7-15-14-4-2-3-5-16(14)20-18(15)17/h2-5,13,17,20,22H,6-11H2,1H3/t13-,17-/m1/s1
InChIKey HBQNJMPXMDOEBA-CXAGYDPISA-N
Molecular Weight 313.401 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](C[C@](CO)(CCN(CC2)C#N)[H])(OC)[H]
SPLASH splash10-03dm-0955000000-dd32ce44080e679f14df
Source of Spectrum F-37-1554-0
Synonyms 3-Cyano-6(R)-hydroxymethyl-8(R)-methoxy-1,2,3,4,5,6,7,8-octahydro-9H-azecinop[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]methanol
Wiley ID 1314334