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methyl 4-methyl-3-pyrazol-1-yl-benzoate
SpectraBase Compound ID F6ff3W3nBfo
InChI InChI=1S/C12H12N2O2/c1-9-4-5-10(12(15)16-2)8-11(9)14-7-3-6-13-14/h3-8H,1-2H3
InChIKey UUZJJHHPPMIXOR-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66EFbq4LlPJ
Name methyl 4-methyl-3-pyrazol-1-yl-benzoate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2
GC Oven Program Oven temp 300oC, Split injector
InChI InChI=1S/C12H12N2O2/c1-9-4-5-10(12(15)16-2)8-11(9)14-7-3-6-13-14/h3-8H,1-2H3
InChIKey UUZJJHHPPMIXOR-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975 MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202011815
Molecular Weight 216.240 g/mol
SMILES c1c(c(cc(c1)C(=O)OC)-[n]1nccc1)C
SPLASH splash10-014r-4940000000-14a678a46bab9c0acc76
Source of Spectrum ACI-60-SM27-27-1
Wiley ID 1880541