For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-Piperidinecarboxylic acid, 4-(3,3-dichloro-2-hydroxypropyl)-3-ethyl-, phenylmethyl ester, [3.alpha.,4.alpha.(S*)]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1-Piperidinecarboxylic acid, 4-(3,3-dichloro-2-hydroxypropyl)-3-ethyl-, phenylmethyl ester, [3.alpha.,4.alpha.(S*)]-(.+-.)-
SpectraBase Compound ID GlEbebrAkbK
InChI InChI=1S/C18H25Cl2NO3/c1-2-14-11-21(9-8-15(14)10-16(22)17(19)20)18(23)24-12-13-6-4-3-5-7-13/h3-7,14-17,22H,2,8-12H2,1H3/t14-,15-,16-/m0/s1
InChIKey XXVKTSCKQMPQDY-JYJNAYRXSA-N
Mol Weight 374.31 g/mol
Molecular Formula C18H25Cl2NO3
Exact Mass 373.121149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID N0m0r1F0m9
Name 1-Piperidinecarboxylic acid, 4-(3,3-dichloro-2-hydroxypropyl)-3-ethyl-, phenylmethyl ester, [3.alpha.,4.alpha.(S*)]-(.+-.)-
Alternate Name(s) 1-Piperidinecarboxylic acid, 4-(3,3-dichloro-2-hydroxypropyl)-3-ethyl-, phenylmethyl ester, [3.alpha.,4.alpha.(s@)]-(.+-.)- 1-Piperidinecarboxylic acid, 4-(3,3-dichloro-2-hydroxypropyl)-3-ethyl-, phenylmethyl ester, [3.alpha.,4.alpha.(s@)]-(.+/-.)- benzyl (3R,4S)-4-[(2S)-3,3-dichloro-2-hydroxypropyl]-3-ethyl-1-piperidinecarboxylate rac-1,1-dichloro-3-(1-benzyloxycarbonyl-3(R)-ethyl-4(S)-piperidinyl)propan-2(S)-ol
CAS Registry Number 66087-83-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25Cl2NO3
InChI InChI=1S/C18H25Cl2NO3/c1-2-14-11-21(9-8-15(14)10-16(22)17(19)20)18(23)24-12-13-6-4-3-5-7-13/h3-7,14-17,22H,2,8-12H2,1H3/t14-,15-,16-/m0/s1
InChIKey XXVKTSCKQMPQDY-JYJNAYRXSA-N
Molecular Weight 374.308 g/mol
SMILES O[C@@](C[C@@]1(CCN(C(OCc2ccccc2)=O)C[C@@]1(CC)[H])[H])(C(Cl)Cl)[H]
SPLASH splash10-0006-9084000000-8e1f73be31128bf78b61
Source of Spectrum C-100-584-0
Wiley ID 1356037