8-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-3,8-diol

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Systematic / IUPAC Name: 8-[(E)-3-Hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-3,8-diol

ID: Reference7987

Other Names: 6-Oxabicyclo[3.2.1]octane-3,8-diol, 8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-

Formula: C13H22O4

Spectral Data

8-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-3,8-diol 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 139
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2018 7:53:20 AM
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Identificators

InChI InChI=1S/C13H22O4/c1-9(14)4-5-13(16)11(2)6-10(15)7-12(13,3)17-8-11/h4-5,9-10,14-16H,6-8H2,1-3H3/b5-4+
InChI Key KCLMUIFNZXEZFL-SNAWJCMRSA-N
Canonical SMILES CC(C=CC1(C2(CC(CC1(OC2)C)O)C)O)O
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Other Names 6-Oxabicyclo[3.2.1]octane-3,8-diol, 8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-

In Other Databases

PubChem 75368776
ChemSpider 29814854