3-O-Methylfunicone

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Systematic / IUPAC Name: Methyl 3,5-dimethoxy-2-({5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-4H-pyran-3-yl}carbonyl)benzoate

ID: Reference7775

Other Names: Benzoic acid, 3,5-dimethoxy-2-({5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-4H-pyran-3-yl}carbonyl)-, methyl ester

Formula: C20H20O8

Spectral Data

3-O-Methylfunicone 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 4/13/2018 12:53:45 PM
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Identificators

InChI InChI=1S/C20H20O8/c1-6-7-14-19(26-4)18(22)13(10-28-14)17(21)16-12(20(23)27-5)8-11(24-2)9-15(16)25-3/h6-10H,1-5H3/b7-6+
InChI Key WGLRJONCGNNMKL-VOTSOKGWSA-N
Canonical SMILES CC=CC1=C(C(=O)C(=CO1)C(=O)C2=C(C=C(C=C2C(=O)OC)OC)OC)OC
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Other Names Benzoic acid, 3,5-dimethoxy-2-({5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-4H-pyran-3-yl}carbonyl)-, methyl ester

In Other Databases

ChemSpider 8723692
ChEMBL CHEMBL3593571
Wikipedia 3-O-Methylfunicone
PubChem 10548301