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rel-(1R,3S,4S,4aS,5S,8aS)-4-cyano-3-cyclohexyl-5-hydroxy-1-methylperhydrobenz[d][1,2]oxazine
SpectraBase Compound ID Cm01iRc5Uk8
InChI InChI=1S/C16H26N2O2/c1-11-13-8-5-9-15(19)16(13)14(10-17)18(20-11)12-6-3-2-4-7-12/h11-16,19H,2-9H2,1H3/t11-,13-,14-,15+,16+/m1/s1
InChIKey UEWKLCIWXQCRGT-XJBGLIRHSA-N
Mol Weight 278.4 g/mol
Molecular Formula C16H26N2O2
Exact Mass 278.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iGzFqOCuu6
Name rel-(1R,3S,4S,4aS,5S,8aS)-4-cyano-3-cyclohexyl-5-hydroxy-1-methylperhydrobenz[d][1,2]oxazine
CAS Registry Number 106625-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26N2O2
InChI InChI=1S/C16H26N2O2/c1-11-13-8-5-9-15(19)16(13)14(10-17)18(20-11)12-6-3-2-4-7-12/h11-16,19H,2-9H2,1H3/t11-,13-,14-,15+,16+/m1/s1
InChIKey UEWKLCIWXQCRGT-XJBGLIRHSA-N
Molecular Weight 278.396 g/mol
SMILES O[C@@]1([C@@]2([C@](N(O[C@@]([C@]2(CCC1)[H])(C)[H])C1CCCCC1)(C#N)[H])[H])[H]
SPLASH splash10-0a6r-3950000000-48337cbe6a10db1a05db
Source of Spectrum J-52-887-15
Synonyms (1R,4S,4aS,5S,8aS)-3-cyclohexyl-5-hydroxy-1-methyloctahydro-1H-2,3-benzoxazine-4-carbonitrile
Wiley ID 1282140