3-(3,3-Dichloro-2-hydroxypropyl)-6,8-dimethoxy-1H-isochromen-1-one

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Systematic / IUPAC Name: 3-(3,3-Dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

ID: Reference7974

Other Names: 1H-2-Benzopyran-1-one, 3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxy-

Formula: C14H14Cl2O5

Spectral Data

3-(3,3-Dichloro-2-hydroxypropyl)-6,8-dimethoxy-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/17/2018 8:12:15 AM
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Identificators

InChI InChI=1S/C14H14Cl2O5/c1-19-8-3-7-4-9(5-10(17)13(15)16)21-14(18)12(7)11(6-8)20-2/h3-4,6,10,13,17H,5H2,1-2H3
InChI Key MOLWVPJZUNCMGV-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=C2C(=C1)C=C(OC2=O)CC(C(Cl)Cl)O)OC
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Other Names 1H-2-Benzopyran-1-one, 3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxy-

In Other Databases

PubChem 21581433
ChemSpider 10194995