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3-Amino-1,2,4-triazole
SpectraBase Compound ID IO5ntwtdKGI
InChI InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey KLSJWNVTNUYHDU-UHFFFAOYSA-N
Mol Weight 84.08 g/mol
Molecular Formula C2H4N4
Exact Mass 84.043596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jk8UsYfeTj
Name Amitrole
CAS Registry Number 61-82-5
Classification Herbicide
Comments Original RI info: <1000
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 84.043596145 u
Formula C2H4N4
InChI InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey KLSJWNVTNUYHDU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 84.082 g/mol
SMILES c1([nH]cnn1)N
SPLASH splash10-001i-9000000000-efa42365288781f00550
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4509