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3-isopropyl-1H-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

3-isopropyl-1H-1,2,4-triazole
SpectraBase Compound ID Au681GhqTOi
InChI InChI=1S/C5H9N3/c1-4(2)5-6-3-7-8-5/h3-4H,1-2H3,(H,6,7,8)
InChIKey AJNQPSCMOSUVKK-UHFFFAOYSA-N
Mol Weight 111.15 g/mol
Molecular Formula C5H9N3
Exact Mass 111.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsqmTS82LE3
Name 3-isopropyl-1H-1,2,4-triazole
Alternate Name(s) 5-isopropyl-1H-1,2,4-triazole 5-Propan-2-yl-1H-1,2,4-triazole
CAS Registry Number 23161-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9N3
InChI InChI=1S/C5H9N3/c1-4(2)5-6-3-7-8-5/h3-4H,1-2H3,(H,6,7,8)
InChIKey AJNQPSCMOSUVKK-UHFFFAOYSA-N
Molecular Weight 111.148 g/mol
SMILES [nH]1nc(nc1)C(C)C
SPLASH splash10-001i-9000000000-e0a18d2208c0378622a6
Source of Spectrum O7-0-57-0
Wiley ID 1122798