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1H-Pyrazole-4-carboxylic acid, 3-methyl-1-propyl-

View entire compound with spectra: 1 MS (GC)

1H-Pyrazole-4-carboxylic acid, 3-methyl-1-propyl-
SpectraBase Compound ID JaVR14NT3e3
InChI InChI=1S/C8H12N2O2/c1-3-4-10-5-7(8(11)12)6(2)9-10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey VXCAGHJDPUBMKC-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Coh4i55tEAh
Name 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-propyl-
Alternate Name(s) 3-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid 3-Methyl-1-propyl-4-pyrazolecarboxylic acid 3-Methyl-1-propyl-pyrazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-3-4-10-5-7(8(11)12)6(2)9-10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey VXCAGHJDPUBMKC-UHFFFAOYSA-N
Molecular Weight 168.196 g/mol
SMILES OC(c1c(n[n](c1)CCC)C)=O
SPLASH splash10-00kr-4900000000-6842a12936bab4e34fb6
Wiley ID 1440896