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1H-2,3-Benzoxazine, 4a,5,6,7,8,8a-hexahydro-1-methyl-, 3-oxide, (1.alpha.,4a.alpha.,8a.alpha.)-
SpectraBase Compound ID AG3W5unmVML
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-YIZRAAEISA-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 HBlrSm5Ku7n
Name 1H-2,3-Benzoxazine, 4a,5,6,7,8,8a-hexahydro-1-methyl-, 3-oxide, (1.alpha.,4a.alpha.,8a.alpha.)-
CAS Registry Number 100759-13-5
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-YIZRAAEISA-N
Molecular Weight 169.224 g/mol
SMILES [C@@]1(O[N+](=C[C@@]2([C@]1(CCCC2)[H])[H])[O-])(C)[H]
SPLASH splash10-00lu-9000000000-f9e2f04db44df1ede98c
Source of Spectrum F-46-7382-2
Synonyms (1S,4aS,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-2,3-benzoxazine 3-oxide 4a,5,6,7,8,8a-hexahydro-1-methyl-1H-2,3-benzoxazine-3-oxide
Wiley ID 1165791