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N,N-Diheptyl-4-methylbenzylamine
SpectraBase Compound ID 4iBXgVmY7Fj
InChI InChI=1S/C22H39N/c1-4-6-8-10-12-18-23(19-13-11-9-7-5-2)20-22-16-14-21(3)15-17-22/h14-17H,4-13,18-20H2,1-3H3
InChIKey NVONKABSHDGEIH-UHFFFAOYSA-N
Mol Weight 317.6 g/mol
Molecular Formula C22H39N
Exact Mass 317.30825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WEMNcMbH6G
Name N,N-Diheptyl-4-methylbenzylamine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 317.308250260 u
Formula C22H39N
InChI InChI=1S/C22H39N/c1-4-6-8-10-12-18-23(19-13-11-9-7-5-2)20-22-16-14-21(3)15-17-22/h14-17H,4-13,18-20H2,1-3H3
InChIKey NVONKABSHDGEIH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.561 g/mol
Nominal Mass 317 u
Quality 977
Retention Index 2164
SMILES C1(CN(CCCCCCC)CCCCCCC)=CC=C(C=C1)C
SPLASH splash10-053r-2980000000-8ed826a5c781d16fdfee
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Diheptyl-4-methylbenzenemethanamine N-heptyl-N-(4-methylbenzyl)heptan-1-amine
Technique GC/MS
Wiley ID DD2024_004634