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2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-
SpectraBase Compound ID 5dy1mzmuYLK
InChI InChI=1S/C7H7N3O/c1-3-4-6(11)7-5(2)8-10-9-7/h1-2H3,(H,8,9,10)
InChIKey XGDALKCXHOTDFO-UHFFFAOYSA-N
Mol Weight 149.15 g/mol
Molecular Formula C7H7N3O
Exact Mass 149.058912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UkT5Pq18Ot
Name 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-
CAS Registry Number 51719-72-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7N3O
InChI InChI=1S/C7H7N3O/c1-3-4-6(11)7-5(2)8-10-9-7/h1-2H3,(H,8,9,10)
InChIKey XGDALKCXHOTDFO-UHFFFAOYSA-N
Molecular Weight 149.153 g/mol
SMILES [nH]1nc(c(n1)C)C(C#CC)=O
SPLASH splash10-014i-9400000000-7c4f35c550f9701e09e0
Source of Spectrum KC-1979-17-1
Synonyms 1-(4-Methyl-1H-1,2,3-triazol-5-yl)-2-butyn-1-one 1-(5-Methyl-2H-1,2,3-triazol-4-yl)but-2-yn-1-one 1-(5-Methyl-2H-triazol-4-yl)-2-butyn-1-one 1-(5-Methyl-2H-triazol-4-yl)but-2-yn-1-one 1H-1,2,3-Triazole, 2-butyn-1-one deriv.
Wiley ID 1146127