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

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

(E)-4-Ethylidene-5-heptyl-3,4-dihydro-2H-pyrrole
SpectraBase Compound ID GT0RjHhFVP7
InChI InChI=1S/C13H23N/c1-3-5-6-7-8-9-13-12(4-2)10-11-14-13/h4H,3,5-11H2,1-2H3/b12-4+
InChIKey JDYNNYMQGCJLQZ-UUILKARUSA-N
Mol Weight 193.33 g/mol
Molecular Formula C13H23N
Exact Mass 193.18305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D4BlUcReYw1
Name (E)-4-Ethylidene-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 193.183049745 u
Formula C13H23N
InChI InChI=1S/C13H23N/c1-3-5-6-7-8-9-13-12(4-2)10-11-14-13/h4H,3,5-11H2,1-2H3/b12-4+
InChIKey JDYNNYMQGCJLQZ-UUILKARUSA-N
Molecular Weight 193.334 g/mol
SMILES C1(=NCC\C1=C\C)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927606