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cis-6,9-Dicyano-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2''':1,2]azepino[4,5-b]indole
SpectraBase Compound ID 5SPzOaiVMbI
InChI InChI=1S/C19H16N4/c1-19(12-21)17-7-6-13(10-20)11-23(17)9-8-15-14-4-2-3-5-16(14)22-18(15)19/h2-7,11,17,22H,8-9H2,1H3/t17-,19+/m1/s1
InChIKey ZHPSIKIKRJLLAE-MJGOQNOKSA-N
Mol Weight 300.36 g/mol
Molecular Formula C19H16N4
Exact Mass 300.137497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCt3f0hH2PP
Name cis-6,9-Dicyano-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2''':1,2]azepino[4,5-b]indole
Alternate Name(s) (6S,6aR)-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2':1,2]azepino[4,5-b]indole-6,9-dicarbonitrile cis-6,9-dicyano-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2''':1,2]azepino[4,5-b]indole
CAS Registry Number 77903-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4
InChI InChI=1S/C19H16N4/c1-19(12-21)17-7-6-13(10-20)11-23(17)9-8-15-14-4-2-3-5-16(14)22-18(15)19/h2-7,11,17,22H,8-9H2,1H3/t17-,19+/m1/s1
InChIKey ZHPSIKIKRJLLAE-MJGOQNOKSA-N
Molecular Weight 300.365 g/mol
SMILES [nH]1c2ccccc2c2CCN3[C@@]([C@@](c12)(C#N)C)(C=CC(=C3)C#N)[H]
SPLASH splash10-0ugi-2900000000-5db47ae1696cef018cc1
Source of Spectrum J-46-3300-0
Wiley ID 1303180