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4,8-Methano-8H-1,8-benzodiazacyclotridecine-3-carbonitrile, 4-ethyl-1,2,3,4,5,6,7,9,10,11-decahydro-2,11-dioxo-, (3R*,4R*)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

4,8-Methano-8H-1,8-benzodiazacyclotridecine-3-carbonitrile, 4-ethyl-1,2,3,4,5,6,7,9,10,11-decahydro-2,11-dioxo-, (3R*,4R*)-(.+-.)-
SpectraBase Compound ID 4uZaNr4wChP
InChI InChI=1S/C19H23N3O2/c1-2-19-9-5-10-22(13-19)11-8-17(23)14-6-3-4-7-16(14)21-18(24)15(19)12-20/h3-4,6-7,15H,2,5,8-11,13H2,1H3,(H,21,24)/t15-,19+/m1/s1
InChIKey KIBMRNRGGLEANX-BEFAXECRSA-N
Mol Weight 325.41 g/mol
Molecular Formula C19H23N3O2
Exact Mass 325.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQYH8fr6Hha
Name 4,8-Methano-8H-1,8-benzodiazacyclotridecine-3-carbonitrile, 4-ethyl-1,2,3,4,5,6,7,9,10,11-decahydro-2,11-dioxo-, (3R*,4R*)-(.+-.)-
CAS Registry Number 111324-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N3O2
InChI InChI=1S/C19H23N3O2/c1-2-19-9-5-10-22(13-19)11-8-17(23)14-6-3-4-7-16(14)21-18(24)15(19)12-20/h3-4,6-7,15H,2,5,8-11,13H2,1H3,(H,21,24)/t15-,19+/m1/s1
InChIKey KIBMRNRGGLEANX-BEFAXECRSA-N
Molecular Weight 325.412 g/mol
SMILES N1c2c(C(CCN3C[C@@]([C@@](C1=O)(C#N)[H])(CCC3)CC)=O)cccc2
SPLASH splash10-0092-0903000000-9df6a87c299327ed1b59
Source of Spectrum J-53-44-8
Synonyms (13R,14R)-14-ethyl-4,12-dioxo-1,11-diazatricyclo[12.3.1.0(5,10)]octadeca-5,7,9-triene-13-carbonitrile
Wiley ID 1324108