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trans-6,9-Dicyano-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2''':1,2]azepino[4,5-b]indole

View entire compound with spectra: 1 MS (GC)

trans-6,9-Dicyano-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2''':1,2]azepino[4,5-b]indole
SpectraBase Compound ID HuufbCKsA7
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-IEBWSBKVSA-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 99RFo86A0i
Name trans-6,9-Dicyano-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2''':1,2]azepino[4,5-b]indole
CAS Registry Number 77903-89-0
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-IEBWSBKVSA-N
Molecular Weight 300.365 g/mol
SMILES [nH]1c2ccccc2c2CCN3[C@@]([C@](c12)(C#N)C)(C=CC(=C3)C#N)[H]
SPLASH splash10-0f6t-0903000000-36854cb1d7df88798bbb
Source of Spectrum J-46-3300-0
Synonyms (6R,6aR)-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2':1,2]azepino[4,5-b]indole-6,9-dicarbonitrile trans-6,9-dicyano-6-methyl-6,6a,12,13-tetrahydro-5H-pyrido[1',2''':1,2]azepino[4,5-b]indole
Wiley ID 1303179