Sorbicillin

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Systematic / IUPAC Name: (2E,4E)-1-(2,4-Dihydroxy-3,5-dimethylphenyl)-2,4-hexadien-1-one

ID: Reference7826

Other Names: Osrbicilin;
(2E,4E)-1-(2,4-Dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one;
2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (E,E)-;
2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (2E,4E)-;
3-Hydroxy-2,4-dimethyl-6-(1-oxo-hexa-2,4-dienyl)phenol

Formula: C14H16O3

Spectral Data

Sorbicillin 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 4/20/2018 11:08:53 AM
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Identificators

InChI InChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4+,7-6+
InChI Key RKKPUBAAIGFXOG-YTXTXJHMSA-N
Canonical SMILES CC=CC=CC(=O)C1=CC(=C(C(=C1O)C)O)C
CAS 79950859
Splash
Other Names Osrbicilin;
(2E,4E)-1-(2,4-Dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one;
2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (E,E)-;
2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (2E,4E)-;
3-Hydroxy-2,4-dimethyl-6-(1-oxo-hexa-2,4-dienyl)phenol

In Other Databases

ChemSpider 4525514
PubChem 5376187
ChemIDPlus 079950859