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OXFKPHOIJXPHDO-UHFFFAOYSA-N
SpectraBase Compound ID KQ35cmqesIk
InChI InChI=1S/C7H7N3O2/c1-10-4-5(3-8)6(9-10)7(11)12-2/h4H,1-2H3
InChIKey OXFKPHOIJXPHDO-UHFFFAOYSA-N
Mol Weight 165.15 g/mol
Molecular Formula C7H7N3O2
Exact Mass 165.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50uznc97kN5
Name 4-cyano-1-methyl-3-pyrazolecarboxylic acid methyl ester
Alternate Name(s) 4-cyano-1-methyl-pyrazole-3-carboxylic acid methyl ester Methyl 4-cyano-1-methyl-pyrazole-3-carboxylate
CAS Registry Number 105020-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7N3O2
InChI InChI=1S/C7H7N3O2/c1-10-4-5(3-8)6(9-10)7(11)12-2/h4H,1-2H3
InChIKey OXFKPHOIJXPHDO-UHFFFAOYSA-N
Molecular Weight 165.152 g/mol
SMILES c1(c(c[n](n1)C)C#N)C(=O)OC
SPLASH splash10-000i-0900000000-41fe8eb5f006702e74c8
Source of Spectrum K-120-168-3
Wiley ID 1161233