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1-(1H-1,2,4-Triazol-5-yl)-1-octadecanone

View entire compound with spectra: 4 MS (GC)

1-(1H-1,2,4-Triazol-5-yl)-1-octadecanone
SpectraBase Compound ID HsmiTirtd5O
InChI InChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)20-21-18-22-23-20/h18H,2-17H2,1H3,(H,21,22,23)
InChIKey FITYJNXNRRTXKT-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 gc5mvhDlnV
Name 1-(1H-1,2,4-Triazol-5-yl)-1-octadecanone
Alternate Name(s) 1H-1,2,4-Triazole, 5-octadecanoyl- 1-(1H-1,2,4-triazol-5-yl)octadecan-1-one
CAS Registry Number 74897-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37N3O
InChI InChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)20-21-18-22-23-20/h18H,2-17H2,1H3,(H,21,22,23)
InChIKey FITYJNXNRRTXKT-UHFFFAOYSA-N
Molecular Weight 335.536 g/mol
SMILES [nH]1ncnc1C(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-06rf-9512000000-d1b39ce837624f3cbb80
Wiley ID 1479760