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(2S,3S,5R,8aR)-1-benzoyl-3-hydroxy-2-methyl-3,5,6,7,8,8a-hexahydro-2H-quinoline-5-carboxylic acid methyl ester
SpectraBase Compound ID 3COW714r2U8
InChI InChI=1S/C19H23NO4/c1-12-17(21)11-15-14(19(23)24-2)9-6-10-16(15)20(12)18(22)13-7-4-3-5-8-13/h3-5,7-8,11-12,14,16-17,21H,6,9-10H2,1-2H3/t12-,14+,16+,17-/m0/s1
InChIKey SXTOGKTXBWADKK-JFOHDYCDSA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQfCpjMrLt5
Name (2S,3S,5R,8aR)-1-benzoyl-3-hydroxy-2-methyl-3,5,6,7,8,8a-hexahydro-2H-quinoline-5-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-12-17(21)11-15-14(19(23)24-2)9-6-10-16(15)20(12)18(22)13-7-4-3-5-8-13/h3-5,7-8,11-12,14,16-17,21H,6,9-10H2,1-2H3/t12-,14+,16+,17-/m0/s1
InChIKey SXTOGKTXBWADKK-JFOHDYCDSA-N
Molecular Weight 329.396 g/mol
SMILES O[C@@]1([C@@](N([C@]2(C(=C1)[C@@](CCC2)(C(=O)OC)[H])[H])C(c1ccccc1)=O)(C)[H])[H]
SPLASH splash10-0002-0794000000-cbe1f6485a285ba29e16
Source of Spectrum J-66-3345-44
Synonyms Methyl (2S,3S,5R,8aR)-1-benzoyl-3-hydroxy-2-methyl-3,5,6,7,8,8a-hexahydro-2H-quinoline-5-carboxylate Methyl (2S,3S,5R,8aR)-2-methyl-3-oxidanyl-1-(phenylcarbonyl)-3,5,6,7,8,8a-hexahydro-2H-quinoline-5-carboxylate
Wiley ID 1535148