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(3aS,4R,11S,111R)-11-Chloro-4-methyloctahydrocyclopenta[d]pyrido[1,2-c][1,3]oxazin- 6(1H)-one

View entire compound with spectra: 1 MS (GC)

(3aS,4R,11S,111R)-11-Chloro-4-methyloctahydrocyclopenta[d]pyrido[1,2-c][1,3]oxazin- 6(1H)-one
SpectraBase Compound ID 3mxsUd8LbTW
InChI InChI=1S/C12H18ClNO2/c1-8-9-4-2-6-12(9)10(13)5-3-7-14(12)11(15)16-8/h8-10H,2-7H2,1H3/t8-,9-,10+,12-/m1/s1
InChIKey QAFJIQRARBRUHW-MWGHHZFTSA-N
Mol Weight 243.73 g/mol
Molecular Formula C12H18ClNO2
Exact Mass 243.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HROjutd5a6e
Name (3aS,4R,11S,111R)-11-Chloro-4-methyloctahydrocyclopenta[d]pyrido[1,2-c][1,3]oxazin- 6(1H)-one
Alternate Name(s) (3aS,4R,11S,11aR)-11-chloro-4-methyloctahydrocyclopenta[d]pyrido[1,2-c][1,3]oxazin-6(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18ClNO2
InChI InChI=1S/C12H18ClNO2/c1-8-9-4-2-6-12(9)10(13)5-3-7-14(12)11(15)16-8/h8-10H,2-7H2,1H3/t8-,9-,10+,12-/m1/s1
InChIKey QAFJIQRARBRUHW-MWGHHZFTSA-N
Literature Reference DOI 10.1021/ol0706410
Molecular Weight 243.734 g/mol
SMILES [C@]1(OC(N2[C@]3([C@@]1(CCC3)[H])[C@](CCC2)(Cl)[H])=O)(C)[H]
SPLASH splash10-0a4l-0190000000-67d77e24ea48e0fdcbd7
Source of Spectrum A1-9-2155/SMS3-12
Wiley ID 1758147