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1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-

View entire compound with spectra: 3 MS (GC)

1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-
SpectraBase Compound ID 5bqX1wFHuWc
InChI InChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-19-21-18-22-23/h18-19H,2-17H2,1H3
InChIKey AWFIQQPKTAGLLF-UHFFFAOYSA-N
Mol Weight 335.5 g/mol
Molecular Formula C20H37N3O
Exact Mass 335.293663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NmUBKo4qy8
Name 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-
CAS Registry Number 60718-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37N3O
InChI InChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-19-21-18-22-23/h18-19H,2-17H2,1H3
InChIKey AWFIQQPKTAGLLF-UHFFFAOYSA-N
Molecular Weight 335.536 g/mol
SMILES c1nc[n](n1)C(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-00di-9000000000-86eefffea08cd9806be8
Source of Spectrum H-63-596-2
Synonyms 1-Stearoyl-1H-1,2,4-triazole 1-(1,2,4-triazol-1-yl)-1-octadecanone 1-(1,2,4-triazol-1-yl)octadecan-1-one 1H-1,2,4-Triazole, 1-octadecanoyl-
Wiley ID 1331790