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(1R,2S)-1-[3-(benzylamino)propyl]-2-hydroxy-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID 8jEvRTJoRP1
InChI InChI=1S/C19H29NO3/c1-2-23-18(22)19(12-7-6-11-17(19)21)13-8-14-20-15-16-9-4-3-5-10-16/h3-5,9-10,17,20-21H,2,6-8,11-15H2,1H3/t17-,19+/m0/s1
InChIKey CNJUBEOXLLIMNG-PKOBYXMFSA-N
Mol Weight 319.44 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pCVGcYw4G
Name (1R,2S)-1-[3-(benzylamino)propyl]-2-hydroxy-cyclohexanecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-2-23-18(22)19(12-7-6-11-17(19)21)13-8-14-20-15-16-9-4-3-5-10-16/h3-5,9-10,17,20-21H,2,6-8,11-15H2,1H3/t17-,19+/m0/s1
InChIKey CNJUBEOXLLIMNG-PKOBYXMFSA-N
Molecular Weight 319.445 g/mol
SMILES O[C@@]1([C@@](CCCNCc2ccccc2)(C(=O)OCC)CCCC1)[H]
SPLASH splash10-00dl-5930000000-4987ca7a707297ab4251
Source of Spectrum H1-46-418-10
Synonyms (1R,2S)-2-hydroxy-1-[3-[(phenylmethyl)amino]propyl]-1-cyclohexanecarboxylic acid ethyl ester Ethyl (1R,2S)-1-[3-(benzylamino)propyl]-2-hydroxy-cyclohexanecarboxylate Ethyl (1R,2S)-1-[3-(benzylamino)propyl]-2-hydroxycyclohexane-1-carboxylate Ethyl (1R,2S)-2-oxidanyl-1-[3-[(phenylmethyl)amino]propyl]cyclohexane-1-carboxylate
Wiley ID 816029