MEDICA 16

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Systematic / IUPAC Name: 3,3,14,14-Tetramethylhexadecanedioic acid

ID: Reference6830

Other Names: 3,3,14,14-Tetramethylhexanedecanedioic acid;
Hexadecandioic acid, 3,3,14,14-tetramethyl-

Formula: C20H38O4

Spectral Data

MEDICA 16 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
No. of Spectral Trees 1
No. of Spectra 571
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2017 10:35:37 AM
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Identificators

InChI InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)
InChI Key HYSMCRNFENOHJH-UHFFFAOYSA-N
Canonical SMILES CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
CAS 87272206
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Other Names 3,3,14,14-Tetramethylhexanedecanedioic acid;
Hexadecandioic acid, 3,3,14,14-tetramethyl-

In Other Databases

ChemSpider 108722
ChEMBL CHEMBL63829
PubChem 121871
ChemIDPlus 087272206