1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl acetate

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Systematic / IUPAC Name: [1-(3,5-Dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate

ID: Reference7806

Other Names: 1,3-Benzenediol, 5-[2-(acetyloxy)-12-hydroxytridecyl]-

Formula: C21H34O5

Spectral Data

1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl acetate 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 3
No. of Spectra 4186
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/19/2018 9:37:28 AM
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Identificators

InChI InChI=1S/C21H34O5/c1-16(22)10-8-6-4-3-5-7-9-11-21(26-17(2)23)14-18-12-19(24)15-20(25)13-18/h12-13,15-16,21-22,24-25H,3-11,14H2,1-2H3
InChI Key XPDBYTRMUWQPTF-UHFFFAOYSA-N
Canonical SMILES CC(CCCCCCCCCC(CC1=CC(=CC(=C1)O)O)OC(=O)C)O
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Other Names 1,3-Benzenediol, 5-[2-(acetyloxy)-12-hydroxytridecyl]-

In Other Databases

ChemSpider 22370022
PubChem 14779700