4-[2-(Hydroxymethyl)-4,5-dimethoxyphenyl]-2,3-dihydro-1H-pyrazol-3-one

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Systematic / IUPAC Name: 4-[2-(Hydroxymethyl)-4,5-dimethoxyphenyl]-1,2-dihydro-3H-pyrazol-3-one

ID: Reference5604

Other Names: 3H-Pyrazol-3-one, 1,2-dihydro-4-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-

Formula: C12H14N2O4

Spectral Data

4-[2-(Hydroxymethyl)-4,5-dimethoxyphenyl]-2,3-dihydro-1H-pyrazol-3-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 111
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/13/2016 11:51:52 AM
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Identificators

InChI InChI=1S/C12H14N2O4/c1-17-10-3-7(6-15)8(4-11(10)18-2)9-5-13-14-12(9)16/h3-5,15H,6H2,1-2H3,(H2,13,14,16)
InChI Key GUFIGQGNAHCHEY-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C(=C1)CO)C2=CNNC2=O)OC
CAS
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Other Names 3H-Pyrazol-3-one, 1,2-dihydro-4-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-

In Other Databases

PubChem 2806054
ChemSpider 2084576