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

SpectraBase Compound ID	BBibtLFxQqU
InChI	InChI=1S/C11H18N2O2/c1-7-8-4-3-5-10(14)11(8)9(6-12)13(2)15-7/h7-11,14H,3-5H2,1-2H3/t7-,8-,9-,10+,11+/m1/s1
InChIKey	DEBKGUPOPKKILG-APLZJWDSSA-N Google Search
Mol Weight	210.28 g/mol
Molecular Formula	C11H18N2O2
Exact Mass	210.136828 g/mol

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SpectraBase Spectrum ID	BMH1ki7cNSW
Name	rel-(1R,3S,4S,4aS,5S,8aS)-4-cyano-5-hydroxy-1,3-di-methylperhydroxybenz[d][1,2]oxazine
CAS Registry Number	106709-00-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11H18N2O2
InChI	InChI=1S/C11H18N2O2/c1-7-8-4-3-5-10(14)11(8)9(6-12)13(2)15-7/h7-11,14H,3-5H2,1-2H3/t7-,8-,9-,10+,11+/m1/s1
InChIKey	DEBKGUPOPKKILG-APLZJWDSSA-N
Molecular Weight	210.277 g/mol
SMILES	O[C@@]1([C@@]2([C@](N(O[C@@]([C@]2(CCC1)[H])(C)[H])C)(C#N)[H])[H])[H]
SPLASH	splash10-08i3-4930000000-1414d2214285782fefc9
Source of Spectrum	J-52-887-15
Synonyms	(1R,4S,4aS,5S,8aS)-5-hydroxy-1,3-dimethyloctahydro-1H-2,3-benzoxazine-4-carbonitrile
Wiley ID	1208992