Cetaben

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Systematic / IUPAC Name: 4-(Hexadecylamino)benzoic acid

ID: Reference6678

Other Names: 4-(N-Hexadecyl)amino-benzoic acid;
4-(N-Hexadecylamino)benzoic acid;
Benzoic acid, 4-(hexadecylamino)-;
Hexadecylamino-p-amino benzoic acid

Formula: C23H39NO2

Spectral Data

Cetaben 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 2
No. of Spectra 929
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/4/2017 10:57:04 AM
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Identificators

InChI InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26)
InChI Key QXWKHSSBFQDQPR-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O
CAS 55986431
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Other Names 4-(N-Hexadecyl)amino-benzoic acid;
4-(N-Hexadecylamino)benzoic acid;
Benzoic acid, 4-(hexadecylamino)-;
Hexadecylamino-p-amino benzoic acid

In Other Databases

ChEMBL CHEMBL31907
ChemIDPlus 064059661; 055986431
PubChem 47263
ChemSpider 43015
KEGG D03447