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(2S,3aR,4S,7aS)-1-(Benzyloxycarbonyl)-4-(ethoxycarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-indole-2-carboxylic acid
SpectraBase Compound ID 9xE94ZKDVzu
InChI InChI=1S/C20H23NO6/c1-2-26-19(24)14-9-6-10-16-15(14)11-17(18(22)23)21(16)20(25)27-12-13-7-4-3-5-8-13/h3-8,10,14-17H,2,9,11-12H2,1H3,(H,22,23)/t14-,15+,16-,17-/m0/s1
InChIKey YEPGVIKLRKKOHP-YVSFHVDLSA-N
Mol Weight 373.41 g/mol
Molecular Formula C20H23NO6
Exact Mass 373.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6k14sWUMcmy
Name (2S,3aR,4S,7aS)-1-(Benzyloxycarbonyl)-4-(ethoxycarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-indole-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO6
InChI InChI=1S/C20H23NO6/c1-2-26-19(24)14-9-6-10-16-15(14)11-17(18(22)23)21(16)20(25)27-12-13-7-4-3-5-8-13/h3-8,10,14-17H,2,9,11-12H2,1H3,(H,22,23)/t14-,15+,16-,17-/m0/s1
InChIKey YEPGVIKLRKKOHP-YVSFHVDLSA-N
Molecular Weight 373.405 g/mol
SMILES OC([C@]1(N([C@@]2([C@]([C@@](C(=O)OCC)(CC=C2)[H])([H])C1)[H])C(OCc1ccccc1)=O)[H])=O
SPLASH splash10-0006-9150000000-bb10fc4fca9b33a7fa37
Source of Spectrum U1-2011-6563-21
Synonyms (2S,3aR,4S,7aS)-1-benzyloxycarbonyl-4-ethoxycarbonyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid (2S,3aR,4S,7aS)-4-ethoxycarbonyl-1-phenylmethoxycarbonyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid
Wiley ID 1703056