7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-3-heptanyl acetate

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Systematic / IUPAC Name: [7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate

ID: Reference7827

Other Names: 1,2-Benzenediol, 4-[5-(acetyloxy)-7-(4-hydroxyphenyl)heptyl]-

Formula: C21H26O5

Spectral Data

7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-3-heptanyl 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 1745
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/20/2018 1:27:22 PM
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Identificators

InChI InChI=1S/C21H26O5/c1-15(22)26-19(12-8-16-6-10-18(23)11-7-16)5-3-2-4-17-9-13-20(24)21(25)14-17/h6-7,9-11,13-14,19,23-25H,2-5,8,12H2,1H3
InChI Key HLPXMGYELYMAQM-UHFFFAOYSA-N
Canonical SMILES CC(=O)OC(CCCCC1=CC(=C(C=C1)O)O)CCC2=CC=C(C=C2)O
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Other Names 1,2-Benzenediol, 4-[5-(acetyloxy)-7-(4-hydroxyphenyl)heptyl]-

In Other Databases

ChemSpider 22370367
PubChem 45360153