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5-Heptyl-4H-1,2,4-triazol-3-amine

View entire compound with spectra: 2 MS (GC)

5-Heptyl-4H-1,2,4-triazol-3-amine
SpectraBase Compound ID AzFXhb5ONrC
InChI InChI=1S/C9H18N4/c1-2-3-4-5-6-7-8-11-9(10)13-12-8/h2-7H2,1H3,(H3,10,11,12,13)
InChIKey YLMXGBDXGVPHRZ-UHFFFAOYSA-N
Mol Weight 182.27 g/mol
Molecular Formula C9H18N4
Exact Mass 182.153147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGZDQYtfOZf
Name 5-Heptyl-4H-1,2,4-triazol-3-amine
CAS Registry Number 20586-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18N4
InChI InChI=1S/C9H18N4/c1-2-3-4-5-6-7-8-11-9(10)13-12-8/h2-7H2,1H3,(H3,10,11,12,13)
InChIKey YLMXGBDXGVPHRZ-UHFFFAOYSA-N
Molecular Weight 182.271 g/mol
SMILES Nc1nnc(CCCCCCC)[nH]1
SPLASH splash10-01ot-9500000000-744dcaf605e983745a92
Source of Spectrum JX-2012-924
Synonyms 5-Heptyl-1H-1,2,4-triazol-3-amine
Wiley ID 1661370