1-[2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-1-butanone

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Systematic / IUPAC Name: 1-[2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one

ID: Reference7934

Other Names: Phomalone;
1-Butanone, 1-(2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)-

Formula: C13H18O5

Spectral Data

1-[2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-1-butanone 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 Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2018 8:02:51 AM
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Identificators

InChI InChI=1S/C13H18O5/c1-3-4-9(15)12-11(18-2)7-10(16)8(5-6-14)13(12)17/h7,14,16-17H,3-6H2,1-2H3
InChI Key PTBQWWHUOMDVFS-UHFFFAOYSA-N
Canonical SMILES CCCC(=O)C1=C(C(=C(C=C1OC)O)CCO)O
CAS 159768895
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Other Names Phomalone;
1-Butanone, 1-(2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)-

In Other Databases

ChemSpider 154977
ChemIDPlus 159768895
PubChem 178026