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1H,3H-Naphth[1,8-cd][1,2]oxazine-9a(4H)-carbonitrile, octahydro-6a-hydroxy-1,3-dimethyl-, (3.alpha.,3a.alpha.,6a.beta.,9a.beta.,9b.beta.)-
SpectraBase Compound ID EkEs3sCWqht
InChI InChI=1S/C14H22N2O2/c1-10-11-5-3-7-14(17)8-4-6-13(9-15,12(11)14)16(2)18-10/h10-12,17H,3-8H2,1-2H3/t10-,11-,12?,13-,14+/m1/s1
InChIKey IVLYOUXKUHCQLT-DUJLVANISA-N
Mol Weight 250.34 g/mol
Molecular Formula C14H22N2O2
Exact Mass 250.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2veYUY1KPTv
Name 1H,3H-Naphth[1,8-cd][1,2]oxazine-9a(4H)-carbonitrile, octahydro-6a-hydroxy-1,3-dimethyl-, (3.alpha.,3a.alpha.,6a.beta.,9a.beta.,9b.beta.)-
CAS Registry Number 106625-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N2O2
InChI InChI=1S/C14H22N2O2/c1-10-11-5-3-7-14(17)8-4-6-13(9-15,12(11)14)16(2)18-10/h10-12,17H,3-8H2,1-2H3/t10-,11-,12?,13-,14+/m1/s1
InChIKey IVLYOUXKUHCQLT-DUJLVANISA-N
Molecular Weight 250.342 g/mol
SMILES O[C@@]12C3[C@](N(O[C@@]([C@]3(CCC1)[H])(C)[H])C)(C#N)CCC2
SPLASH splash10-00dl-9310000000-49f2915679c7026e0fa7
Source of Spectrum J-52-885-4
Synonyms (3R,3aS,6aS,9aS)-6a-hydroxy-1,3-dimethyloctahydro-1H,3H-naphtho[1,8-cd][1,2]oxazine-9a(4H)-carbonitrile rel-(3R,3aS,6aS,9aS,9ba)-9a-cyano-6a-hydroxyl-1,3-di-methylperhydronaphtho[8,8a-c:8a,1-d][1,2]oxazine
Wiley ID 1253426