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(E)-4-Benzylidene-5-heptyl-3,4-dihydro-2H-pyrrole

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

(E)-4-Benzylidene-5-heptyl-3,4-dihydro-2H-pyrrole
SpectraBase Compound ID IPOvhZgChO1
InChI InChI=1S/C18H25N/c1-2-3-4-5-9-12-18-17(13-14-19-18)15-16-10-7-6-8-11-16/h6-8,10-11,15H,2-5,9,12-14H2,1H3/b17-15+
InChIKey GNPLBSLHMGUBJG-BMRADRMJSA-N
Mol Weight 255.4 g/mol
Molecular Formula C18H25N
Exact Mass 255.1987 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F9jCw3NvZzy
Name (E)-4-Benzylidene-5-heptyl-3,4-dihydro-2H-pyrrole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.198699809 u
Formula C18H25N
InChI InChI=1S/C18H25N/c1-2-3-4-5-9-12-18-17(13-14-19-18)15-16-10-7-6-8-11-16/h6-8,10-11,15H,2-5,9,12-14H2,1H3/b17-15+
InChIKey GNPLBSLHMGUBJG-BMRADRMJSA-N
Molecular Weight 255.405 g/mol
SMILES C1(=NCC\C1=C\C1=CC=CC=C1)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925336