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1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID GiHp2JIIyZG
InChI InChI=1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey KOABFSONXOOIIH-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 FgTVfToPtes
Name 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid
Alternate Name(s) 2-Methyl-5-propyl-3-pyrazolecarboxylic acid 2-Methyl-5-propyl-pyrazole-3-carboxylic acid Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-
CAS Registry Number 139755-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey KOABFSONXOOIIH-UHFFFAOYSA-N
Molecular Weight 168.196 g/mol
SMILES OC(c1[n](nc(c1)CCC)C)=O
SPLASH splash10-0006-9800000000-d1df494c9051a904bb6c
Source of Spectrum AD-0-2532-0
Wiley ID 1435198