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4H-1,3-Benzoxazin-4-one, 2-(4-chlorophenyl)octahydro-, (2.alpha.,4a.beta.,8a.beta.)-
SpectraBase Compound ID 9r0zNguVRes
InChI InChI=1S/C14H16ClNO2/c15-10-7-5-9(6-8-10)14-16-13(17)11-3-1-2-4-12(11)18-14/h5-8,11-12,14H,1-4H2,(H,16,17)/t11-,12+,14-/m0/s1
InChIKey FJBVPZYNGSYDLV-SCRDCRAPSA-N
Mol Weight 265.74 g/mol
Molecular Formula C14H16ClNO2
Exact Mass 265.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhYiGC2L3Jl
Name 4H-1,3-Benzoxazin-4-one, 2-(4-chlorophenyl)octahydro-, (2.alpha.,4a.beta.,8a.beta.)-
Alternate Name(s) (2S,4aS,8aR)-2-(4-chlorophenyl)octahydro-4H-1,3-benzoxazin-4-one cis-1-oxa-2-methyl-2-(4-chlorophenyl)-3-azabicyclo[4.3.0]nonan-4-one
CAS Registry Number 95272-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClNO2
InChI InChI=1S/C14H16ClNO2/c15-10-7-5-9(6-8-10)14-16-13(17)11-3-1-2-4-12(11)18-14/h5-8,11-12,14H,1-4H2,(H,16,17)/t11-,12+,14-/m0/s1
InChIKey FJBVPZYNGSYDLV-SCRDCRAPSA-N
Molecular Weight 265.740 g/mol
SMILES N1[C@@](O[C@@]2(CCCC[C@@]2(C1=O)[H])[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-0udi-4910000000-49d68912a4c33f98360f
Source of Spectrum Y-22-525-0
Wiley ID 1268890