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(3S,4S)-3-Chloro-4-ethoxycarbonyl-1-methyl-2(6H)-azoninone
SpectraBase Compound ID IxcDezaNb9x
InChI InChI=1S/C12H18ClNO3/c1-3-17-12(16)9-7-5-4-6-8-14(2)11(15)10(9)13/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+/t9-,10+/m1/s1
InChIKey RSHGBBMEYAHQKD-NVETZNIKSA-N
Mol Weight 259.73 g/mol
Molecular Formula C12H18ClNO3
Exact Mass 259.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IeyMp6ovbj
Name (3S,4S)-3-Chloro-4-ethoxycarbonyl-1-methyl-2(6H)-azoninone
Alternate Name(s) (3S,4S)-3-Chloro-4-ethoxycarbonyl-1-methyl-2,3,4,7,8,9-hexahydro-2-azoninone Ethyl (3S,4S)-3-chloro-1-methyl-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylate
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Formula C12H18ClNO3
InChI InChI=1S/C12H18ClNO3/c1-3-17-12(16)9-7-5-4-6-8-14(2)11(15)10(9)13/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+/t9-,10+/m1/s1
InChIKey RSHGBBMEYAHQKD-NVETZNIKSA-N
Molecular Weight 259.733 g/mol
SMILES C1([C@]([C@](C(=O)OCC)(\C=C\CCCN1C)[H])(Cl)[H])=O
SPLASH splash10-0081-9860000000-4cec115febecbd543814
Source of Spectrum QE-2-898-12
Wiley ID 842621