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rel-(1R,3S,4S,4aS,5S,8aS)-4-cyano-3-(1,1-dimethylethyl)-5-hydroxy-1-methylperhydrobenz[d][1,2]oxazine

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rel-(1R,3S,4S,4aS,5S,8aS)-4-cyano-3-(1,1-dimethylethyl)-5-hydroxy-1-methylperhydrobenz[d][1,2]oxazine
SpectraBase Compound ID mfyunldbAK
InChI InChI=1S/C14H24N2O2/c1-9-10-6-5-7-12(17)13(10)11(8-15)16(18-9)14(2,3)4/h9-13,17H,5-7H2,1-4H3/t9-,10-,11-,12+,13+/m1/s1
InChIKey RZVYJVZGTIHEEQ-KVSVUVNWSA-N
Mol Weight 252.36 g/mol
Molecular Formula C14H24N2O2
Exact Mass 252.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPhvHUVEGwI
Name rel-(1R,3S,4S,4aS,5S,8aS)-4-cyano-3-(1,1-dimethylethyl)-5-hydroxy-1-methylperhydrobenz[d][1,2]oxazine
CAS Registry Number 106625-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24N2O2
InChI InChI=1S/C14H24N2O2/c1-9-10-6-5-7-12(17)13(10)11(8-15)16(18-9)14(2,3)4/h9-13,17H,5-7H2,1-4H3/t9-,10-,11-,12+,13+/m1/s1
InChIKey RZVYJVZGTIHEEQ-KVSVUVNWSA-N
Molecular Weight 252.358 g/mol
SMILES O[C@@]1([C@@]2([C@](N(O[C@@]([C@]2(CCC1)[H])(C)[H])C(C)(C)C)(C#N)[H])[H])[H]
SPLASH splash10-0f6t-0970000000-cfe109b2c6314c1c9a87
Source of Spectrum J-52-887-15
Synonyms (1R,4S,4aS,5S,8aS)-3-tert-butyl-5-hydroxy-1-methyloctahydro-1H-2,3-benzoxazine-4-carbonitrile
Wiley ID 1255657