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5-Apdi 2all

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

5-Apdi 2all
SpectraBase Compound ID BwpNcNbU3Fc
InChI InChI=1S/C18H25N/c1-4-11-19(12-5-2)15(3)13-16-9-10-17-7-6-8-18(17)14-16/h4-5,9-10,14-15H,1-2,6-8,11-13H2,3H3
InChIKey LRRNTXLTQPHHJX-UHFFFAOYSA-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 3c4k4ptBJ26
Name 5-Apdi 2all
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/c1-4-11-19(12-5-2)15(3)13-16-9-10-17-7-6-8-18(17)14-16/h4-5,9-10,14-15H,1-2,6-8,11-13H2,3H3
InChIKey LRRNTXLTQPHHJX-UHFFFAOYSA-N
Molecular Weight 255.405 g/mol
SMILES C1=2C(=CC(CC(N(CC=C)CC=C)C)=CC2)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883439