7-Chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one

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Systematic / IUPAC Name: 7-Chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one

ID: Reference7571

Other Names: 1H-2-Benzopyran-1-one, 7-chloro-3,4-dihydro-4,8-dihydroxy-6-methoxy-3-methyl-

Formula: C11H11ClO5

Spectral Data

7-Chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/19/2018 7:40:51 AM
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Identificators

InChI InChI=1S/C11H11ClO5/c1-4-9(13)5-3-6(16-2)8(12)10(14)7(5)11(15)17-4/h3-4,9,13-14H,1-2H3
InChI Key UPALKCDWIDYZDP-UHFFFAOYSA-N
Canonical SMILES CC1C(C2=CC(=C(C(=C2C(=O)O1)O)Cl)OC)O
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Other Names 1H-2-Benzopyran-1-one, 7-chloro-3,4-dihydro-4,8-dihydroxy-6-methoxy-3-methyl-

In Other Databases

ChemSpider 24022710
PubChem 45359319