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4H-1,3-Benzoxazin-4-one, 2-(4-chlorophenyl)octahydro-3-methyl-, (2.alpha.,4a.beta.,8a.beta.)-
SpectraBase Compound ID IX3upGP48rw
InChI InChI=1S/C15H18ClNO2/c1-17-14(18)12-4-2-3-5-13(12)19-15(17)10-6-8-11(16)9-7-10/h6-9,12-13,15H,2-5H2,1H3/t12-,13+,15-/m0/s1
InChIKey VESRKIKNBWXLDD-GUTXKFCHSA-N
Mol Weight 279.77 g/mol
Molecular Formula C15H18ClNO2
Exact Mass 279.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jCMrzM1gq0
Name 4H-1,3-Benzoxazin-4-one, 2-(4-chlorophenyl)octahydro-3-methyl-, (2.alpha.,4a.beta.,8a.beta.)-
CAS Registry Number 95178-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18ClNO2
InChI InChI=1S/C15H18ClNO2/c1-17-14(18)12-4-2-3-5-13(12)19-15(17)10-6-8-11(16)9-7-10/h6-9,12-13,15H,2-5H2,1H3/t12-,13+,15-/m0/s1
InChIKey VESRKIKNBWXLDD-GUTXKFCHSA-N
Molecular Weight 279.767 g/mol
SMILES C1(N([C@@](O[C@@]2(CCCC[C@]12[H])[H])(c1ccc(cc1)Cl)[H])C)=O
SPLASH splash10-014i-3920000000-ff888b8946f98fb2a7aa
Source of Spectrum Y-22-525-0
Synonyms (2S,4aS,8aR)-2-(4-chlorophenyl)-3-methyloctahydro-4H-1,3-benzoxazin-4-one cis-1-oxa-3-methyl-2-(4-chlorophenyl)-3-azabicyclo[4.4.0]deecan-4-one
Wiley ID 1282927