1-(1-Hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol

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Systematic / IUPAC Name: 1-(1-Hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol

ID: Reference7619

Other Names: 4,5,6,7-Isobenzofurantetrol, 1,3,4,5,6,7-hexahydro-1-(1-hydroxybutyl)-

Formula: C12H20O6

Spectral Data

1-(1-Hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol 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 2
No. of Spectra 505
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2018 6:08:00 AM
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Identificators

InChI InChI=1S/C12H20O6/c1-2-3-6(13)12-7-5(4-18-12)8(14)10(16)11(17)9(7)15/h6,8-17H,2-4H2,1H3
InChI Key TWDKEWYUAIMHMA-UHFFFAOYSA-N
Canonical SMILES CCCC(C1C2=C(CO1)C(C(C(C2O)O)O)O)O
CAS
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Other Names 4,5,6,7-Isobenzofurantetrol, 1,3,4,5,6,7-hexahydro-1-(1-hydroxybutyl)-

In Other Databases

PubChem 51136324
ChemSpider 29814449