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Benzalkonium chloride-2 -CH3Cl
SpectraBase Compound ID J6zhaWsO0iQ
InChI InChI=1S/C22H39N/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23(2)21-22-18-15-14-16-19-22/h14-16,18-19H,3-13,17,20-21H2,1-2H3
InChIKey LMODWEIPOHHCCQ-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 JJU7r3ELSCG
Name N-Methyl-N-benzyltetradecanamine
CAS Registry Number 83690-72-6
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 317.308250260 u
Formula C22H39N
InChI InChI=1S/C22H39N/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23(2)21-22-18-15-14-16-19-22/h14-16,18-19H,3-13,17,20-21H2,1-2H3
InChIKey LMODWEIPOHHCCQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.561 g/mol
Nominal Mass 317 u
Quality 898
Retention Index 2358
SMILES C=1(CN(CCCCCCCCCCCCCC)C)C=CC=CC1
SPLASH splash10-001i-7900000000-f8be160f19e65e995c5f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-Benzyl-N-methyl-tetradecan-1-amine
Technique GC/MS
Wiley ID DD2024_002756