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

*Links on SpectraBase are not permalinks.

1-Methyl-3-para-methylbenzoyl-4-phenylpyrrolidine (3,4-trans)

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1-Methyl-3-para-methylbenzoyl-4-phenylpyrrolidine (3,4-trans)
SpectraBase Compound ID 3e94FypdYos
InChI InChI=1S/C19H21NO/c1-14-8-10-16(11-9-14)19(21)18-13-20(2)12-17(18)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3
InChIKey CBXXNMSANPCLIY-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ibv36BeSkcr
Name 1-Methyl-3-para-methylbenzoyl-4-phenylpyrrolidine (3,4-trans)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.162314299 u
Formula C19H21NO
InChI InChI=1S/C19H21NO/c1-14-8-10-16(11-9-14)19(21)18-13-20(2)12-17(18)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3
InChIKey CBXXNMSANPCLIY-UHFFFAOYSA-N
SMILES C1N(CC(C1C1=CC=CC=C1)C(C1=CC=C(C=C1)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881567