3-Hydroxy-4-(2-hydroxy-6-methyl-2-heptanyl)benzoic acid

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Systematic / IUPAC Name: 3-Hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoic acid

ID: Reference7958

Other Names: Benzoic acid, 3-hydroxy-4-(1-hydroxy-1,5-dimethylhexyl)-

Formula: C15H22O4

Spectral Data

3-Hydroxy-4-(2-hydroxy-6-methyl-2-heptanyl)benzoic acid 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 137
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2018 11:21:02 AM
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Identificators

InChI InChI=1S/C15H22O4/c1-10(2)5-4-8-15(3,19)12-7-6-11(14(17)18)9-13(12)16/h6-7,9-10,16,19H,4-5,8H2,1-3H3,(H,17,18)
InChI Key VZXPWVDKXCYHSI-UHFFFAOYSA-N
Canonical SMILES CC(C)CCCC(C)(C1=C(C=C(C=C1)C(=O)O)O)O
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Other Names Benzoic acid, 3-hydroxy-4-(1-hydroxy-1,5-dimethylhexyl)-

In Other Databases

ChemSpider 22369846
PubChem 13877171