1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

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Systematic / IUPAC Name: 1-[3-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

ID: Reference7805

Other Names: Ethanone, 1-[2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-

Formula: C13H16O4

Spectral Data

1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone 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 4/19/2018 7:27:20 AM
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Identificators

InChI InChI=1S/C13H16O4/c1-7(14)8-4-5-10-9(6-8)11(15)12(17-10)13(2,3)16/h4-6,11-12,15-16H,1-3H3
InChI Key XFIALOBGPJCAMB-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CC2=C(C=C1)OC(C2O)C(C)(C)O
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Other Names Ethanone, 1-[2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-

In Other Databases

ChemSpider 22370317
PubChem 45360029