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1H-2,3-Benzoxazine, 4a,5,6,7,8,8a-hexahydro-1-methyl-, 3-oxide, (1.alpha.,4a.beta.,8a.alpha.)-
SpectraBase Compound ID 2ImdHtCihjL
InChI InChI=1S/C9H15NO2/c1-7-9-5-3-2-4-8(9)6-10(11)12-7/h6-9H,2-5H2,1H3/t7-,8-,9-/m0/s1
InChIKey QTCJXYAUUODEIT-CIUDSAMLSA-N
Mol Weight 169.22 g/mol
Molecular Formula C9H15NO2
Exact Mass 169.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErM6AqcwSlt
Name 1H-2,3-Benzoxazine, 4a,5,6,7,8,8a-hexahydro-1-methyl-, 3-oxide, (1.alpha.,4a.beta.,8a.alpha.)-
CAS Registry Number 100606-05-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO2
InChI InChI=1S/C9H15NO2/c1-7-9-5-3-2-4-8(9)6-10(11)12-7/h6-9H,2-5H2,1H3/t7-,8-,9-/m0/s1
InChIKey QTCJXYAUUODEIT-CIUDSAMLSA-N
Molecular Weight 169.224 g/mol
SMILES [C@@]1(O[N+](=C[C@]2([C@]1(CCCC2)[H])[H])[O-])(C)[H]
SPLASH splash10-0159-9000000000-c9579a535201fd0db65a
Source of Spectrum F-46-7382-2
Synonyms (1S,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-2,3-benzoxazine 3-oxide rel-(1R,4aS,8aS)-4-methyl-4a,5,6,7,8,8a-hexahydro-1H-2,3-benzoxazine-3-oxide
Wiley ID 1165787