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(E)-(3S,4R)-1,3-Dimethyl-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylic acid ethyl ester
SpectraBase Compound ID AK8lUxrPnut
InChI InChI=1S/C13H21NO3/c1-4-17-13(16)11-8-6-5-7-9-14(3)12(15)10(11)2/h6,8,10-11H,4-5,7,9H2,1-3H3/b8-6+/t10-,11+/m0/s1
InChIKey CZJVCGZDGWCUNA-YBFGJNSCSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZaWyRsL3WI
Name (E)-(3S,4R)-1,3-Dimethyl-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-4-17-13(16)11-8-6-5-7-9-14(3)12(15)10(11)2/h6,8,10-11H,4-5,7,9H2,1-3H3/b8-6+/t10-,11+/m0/s1
InChIKey CZJVCGZDGWCUNA-YBFGJNSCSA-N
Molecular Weight 239.315 g/mol
SMILES C1([C@]([C@](C(=O)OCC)(\C=C\CCCN1C)[H])(C)[H])=O
SPLASH splash10-015a-7910000000-61c6d9bbfdd6bb20280b
Source of Spectrum QE-2-897-12
Synonyms (3S,4R)-1,3-Dimethyl-4-ethoxycarbonyl-2(6H)-azoninone (3S,4R)-1,3-Dimethyl-4-ethoxycarbonyl-2,3,4,7,8,9-hexahydro-2-azoninone Ethyl (3S,4R)-1,3-dimethyl-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylate
Wiley ID 842625