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1H-1,2,4-Triazole, 1-(4-methyl-1-oxooctadecyl)-
SpectraBase Compound ID BGrBZsk7zF
InChI InChI=1S/C21H39N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2)16-17-21(25)24-19-22-18-23-24/h18-20H,3-17H2,1-2H3
InChIKey IHZHAYOFNSGDFQ-UHFFFAOYSA-N
Mol Weight 349.6 g/mol
Molecular Formula C21H39N3O
Exact Mass 349.309313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSmaNSs1LtK
Name 1H-1,2,4-Triazole, 1-(4-methyl-1-oxooctadecyl)-
Alternate Name(s) 1-(4'-Methylstearoyl)-1,2,4-triazole 1-(4-Methyloctadecanoyl)-1H-1,2,4-triazole
CAS Registry Number 74897-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39N3O
InChI InChI=1S/C21H39N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2)16-17-21(25)24-19-22-18-23-24/h18-20H,3-17H2,1-2H3
InChIKey IHZHAYOFNSGDFQ-UHFFFAOYSA-N
Molecular Weight 349.563 g/mol
SMILES c1n[n](cn1)C(=O)CCC(CCCCCCCCCCCCCC)C
SPLASH splash10-00di-9100000000-b3e7d3acad679aa77a5d
Source of Spectrum H-63-596-7
Wiley ID 1341476