1-[2-(1,3-Benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]-1,2-propanediol

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Systematic / IUPAC Name: 1-[2-(1,3-Benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol

ID: Reference8026

Other Names: 1,2-Propanediol, 1-[2-(1,3-benzodioxol-5-yl)-3-methyl-5-benzofuranyl]-

Formula: C19H18O5

Spectral Data

1-[2-(1,3-Benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]-1,2-propanediol 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 6/4/2018 5:28:14 AM
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Identificators

InChI InChI=1S/C19H18O5/c1-10-14-7-12(18(21)11(2)20)3-5-15(14)24-19(10)13-4-6-16-17(8-13)23-9-22-16/h3-8,11,18,20-21H,9H2,1-2H3
InChI Key BAUXUWNOTMKKET-UHFFFAOYSA-N
Canonical SMILES CC1=C(OC2=C1C=C(C=C2)C(C(C)O)O)C3=CC4=C(C=C3)OCO4
CAS
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Other Names 1,2-Propanediol, 1-[2-(1,3-benzodioxol-5-yl)-3-methyl-5-benzofuranyl]-

In Other Databases

ChemSpider 22370364
PubChem 45360151