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2-Piperidineacetic acid, 6-(1-hydroxypropyl)-1-(phenylmethyl)-, ethyl ester, [2.alpha.,6.alpha.(S*)]-(.+-.)-
SpectraBase Compound ID BzbxhRSqb1C
InChI InChI=1S/C19H29NO3/c1-3-18(21)17-12-8-11-16(13-19(22)23-4-2)20(17)14-15-9-6-5-7-10-15/h5-7,9-10,16-18,21H,3-4,8,11-14H2,1-2H3/t16-,17-,18-/m0/s1
InChIKey KYLJNEQOKKEHIA-BZSNNMDCSA-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 LH2qLcqRf2M
Name 2-Piperidineacetic acid, 6-(1-hydroxypropyl)-1-(phenylmethyl)-, ethyl ester, [2.alpha.,6.alpha.(S*)]-(.+-.)-
CAS Registry Number 41547-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-3-18(21)17-12-8-11-16(13-19(22)23-4-2)20(17)14-15-9-6-5-7-10-15/h5-7,9-10,16-18,21H,3-4,8,11-14H2,1-2H3/t16-,17-,18-/m0/s1
InChIKey KYLJNEQOKKEHIA-BZSNNMDCSA-N
Molecular Weight 319.445 g/mol
SMILES O[C@]([C@]1(N([C@](CC(=O)OCC)(CCC1)[H])Cc1ccccc1)[H])(CC)[H]
SPLASH splash10-0006-9020000000-e265e3759c3d2257e1e2
Source of Spectrum H-61-895-0
Synonyms Ethyl ester of threo-cis- and threo-trans-N-benzyl-dihydropalustramic acid Ethyl {(2S,6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidinyl}acetate
Wiley ID 1319460