1,3-Dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methyl-2-butanyl 3-methylbutanoate

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Systematic / IUPAC Name: [1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate

ID: Reference7831

Other Names: Butanoic acid, 3-methyl-, 2-hydroxy-1-[hydroxy(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)methyl]-2-methylpropyl ester

Formula: C20H26O7

Spectral Data

1,3-Dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methyl-2-butanyl 3-methylbutanoate 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 3
No. of Spectra 6687
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2018 8:30:12 AM
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Identificators

InChI InChI=1S/C20H26O7/c1-11(2)8-17(22)27-19(20(3,4)24)18(23)13-9-12-6-7-16(21)26-14(12)10-15(13)25-5/h6-7,9-11,18-19,23-24H,8H2,1-5H3
InChI Key GMMHQFAVUZIMEL-UHFFFAOYSA-N
Canonical SMILES CC(C)CC(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O
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Other Names Butanoic acid, 3-methyl-, 2-hydroxy-1-[hydroxy(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)methyl]-2-methylpropyl ester

In Other Databases

PubChem 51136483
ChemSpider 29814344