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

*Links on SpectraBase are not permalinks.
(S)-Methyl 1-((R,E)-hept-4-en-3-yl)pyrrolidin-2-carboxylate
SpectraBase Compound ID 6pFlxtFAcWc
InChI InChI=1S/C13H23NO2/c1-4-6-8-11(5-2)14-10-7-9-12(14)13(15)16-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3/b8-6+/t11-,12+/m1/s1
InChIKey QAZKHASPRPQGDW-OWVOXGNYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C13H23NO2
Exact Mass 225.172879 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 FJMIJiYfu5k
Name (S)-Methyl 1-((R,E)-hept-4-en-3-yl)pyrrolidin-2-carboxylate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO2
InChI InChI=1S/C13H23NO2/c1-4-6-8-11(5-2)14-10-7-9-12(14)13(15)16-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3/b8-6+/t11-,12+/m1/s1
InChIKey QAZKHASPRPQGDW-OWVOXGNYSA-N
Instrument Name Agilent 6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202000307
Molecular Weight 225.332 g/mol
Optical Rotation [a]D20 = -159.3 (436 nm), -92.5 (546 nm), -80.8 (579 nm), -78.4 (589 nm) (c = 0.505 g/100 ml, CHCl3)
SMILES CC\C=C\[C@@](CC)(N1[C@@](CCC1)(C(=O)OC)[H])[H]
SPLASH splash10-0002-6900000000-389e6abe29194fe5931d
Sample Comments dr = 98:2
Source of Spectrum QE-26-SM25-(R,S)-3k
Thin-Layer Chromatography Rf = 0.18 (Silica, cHex/EtOAc, 3:1)
Wiley ID 1858584