2-({[2-(Trifluoromethoxy)benzyl]amino}carbonyl)benzoic acid

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Systematic / IUPAC Name: 2-{[2-(Trifluoromethoxy)benzyl]carbamoyl}benzoic acid

ID: Reference4637

Other Names: Benzoic acid, 2-[({[2-(trifluoromethoxy)phenyl]methyl}amino)carbonyl]-

Formula: C16H12F3NO4

Spectral Data

2-({[2-(Trifluoromethoxy)benzyl]amino}carbonyl)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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/26/2016 5:52:46 AM
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Identificators

InChI InChI=1S/C16H12F3NO4/c17-16(18,19)24-13-8-4-1-5-10(13)9-20-14(21)11-6-2-3-7-12(11)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChI Key HUXDWFVQDWJHGM-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C(=C1)CNC(=O)C2=CC=CC=C2C(=O)O)OC(F)(F)F
CAS
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Other Names Benzoic acid, 2-[({[2-(trifluoromethoxy)phenyl]methyl}amino)carbonyl]-

In Other Databases

ChemSpider 2089883
PubChem 2811471