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Amitrole 2ME
SpectraBase Compound ID 3xfV9HPgOHL
InChI InChI=1S/C4H8N4/c1-8(2)4-5-3-6-7-4/h3H,1-2H3,(H,5,6,7)
InChIKey JFNQRZQLFJSYLO-UHFFFAOYSA-N
Mol Weight 112.14 g/mol
Molecular Formula C4H8N4
Exact Mass 112.074896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RSWY67TyS
Name Amitrole 2ME
Classification Herbicide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 112.074896274 u
Formula C4H8N4
InChI InChI=1S/C4H8N4/c1-8(2)4-5-3-6-7-4/h3H,1-2H3,(H,5,6,7)
InChIKey JFNQRZQLFJSYLO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 112.136 g/mol
Related CAS Registry Number(s) 61-82-5
SMILES CN(c1[nH]cnn1)C
SPLASH splash10-0a4j-9100000000-c1725b9b3534b12bf5a9
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_3121