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

*Links on SpectraBase are not permalinks.
1-Pyrrolidinecarboxylic acid, 3-hydroxy-5-(1-nonenyl)-2-(phenylmethyl)-, methyl ester, [2S-[2.alpha.,3.alpha.,5.alpha.(E)]]-
SpectraBase Compound ID 4cHqg9PYtuN
InChI InChI=1S/C22H33NO3/c1-3-4-5-6-7-8-12-15-19-17-21(24)20(23(19)22(25)26-2)16-18-13-10-9-11-14-18/h9-15,19-21,24H,3-8,16-17H2,1-2H3/b15-12+/t19-,20+,21+/m1/s1
InChIKey RDFXFZHVTSQPOY-LITIHAKASA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 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 6tteZdjx4P4
Name 1-Pyrrolidinecarboxylic acid, 3-hydroxy-5-(1-nonenyl)-2-(phenylmethyl)-, methyl ester, [2S-[2.alpha.,3.alpha.,5.alpha.(E)]]-
CAS Registry Number 131013-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-3-4-5-6-7-8-12-15-19-17-21(24)20(23(19)22(25)26-2)16-18-13-10-9-11-14-18/h9-15,19-21,24H,3-8,16-17H2,1-2H3/b15-12+/t19-,20+,21+/m1/s1
InChIKey RDFXFZHVTSQPOY-LITIHAKASA-N
Molecular Weight 359.510 g/mol
SMILES O[C@@]1([C@@](N([C@@](C1)(\C=C\CCCCCCC)[H])C(=O)OC)(Cc1ccccc1)[H])[H]
SPLASH splash10-014i-1090000000-d0bea92116a9439edef9
Source of Spectrum J-56-1132-10
Synonyms Methyl (2S,3S,5S)-2-benzyl-3-hydroxy-5-[(1E)-1-nonenyl]-1-pyrrolidinecarboxylate
Wiley ID 1347874