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

*Links on SpectraBase are not permalinks.

dl-1-(alpha-Methylbenzyl)pyrrolidine, picrate

View entire compound with spectra: 2 NMR, and 1 FTIR

dl-1-(alpha-Methylbenzyl)pyrrolidine, picrate
SpectraBase Compound ID IVg27mhPzk6
InChI InChI=1S/C12H17N.C6H3N3O7/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-4,7-8,11H,5-6,9-10H2,1H3;1-2,10H
InChIKey HHPVZGAHFCWHRZ-UHFFFAOYSA-N
Mol Weight 404.38 g/mol
Molecular Formula C18H20N4O7
Exact Mass 404.133199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID C2SHnWNT9aY
Name dl-1-(alpha-Methylbenzyl)pyrrolidine, picrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.133198993 u
Formula C18H20N4O7
InChI InChI=1S/C12H17N.C6H3N3O7/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-4,7-8,11H,5-6,9-10H2,1H3;1-2,10H
InChIKey HHPVZGAHFCWHRZ-UHFFFAOYSA-N
Molecular Weight 404.379 g/mol
SMILES N(=O)(=O)C=1C=C(C=C(C1O)N(=O)=O)N(=O)=O.C=1C=CC=C(C1)C(N1CCCC1)C