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Benzocaine, N-(heptafluorobutyryl)-
SpectraBase Compound ID LEJ0bKuspFB
InChI InChI=1S/C13H10F7NO3/c1-2-24-9(22)7-3-5-8(6-4-7)21-10(23)11(14,15)12(16,17)13(18,19)20/h3-6H,2H2,1H3,(H,21,23)
InChIKey DSPOBIKWFDKLCP-UHFFFAOYSA-N
Mol Weight 361.22 g/mol
Molecular Formula C13H10F7NO3
Exact Mass 361.05489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFTYXKVKgHg
Name Benzocaine HFB
Classification Local anesthetic derivative
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Exact Mass 361.054890324 u
Formula C13H10F7NO3
InChI InChI=1S/C13H10F7NO3/c1-2-24-9(22)7-3-5-8(6-4-7)21-10(23)11(14,15)12(16,17)13(18,19)20/h3-6H,2H2,1H3,(H,21,23)
InChIKey DSPOBIKWFDKLCP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 361.216 g/mol
Nominal Mass 361 u
Quality 999
Retention Index 1592
SMILES C(C(C(F)(F)F)(F)F)(C(NC1=CC=C(C(OCC)=O)C=C1)=O)(F)F
SPLASH splash10-014i-6918000000-4dec211df13bce8d519f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms ethyl 4-((2,2,3,3,4,4,4-heptafluorobutanoyl)amino)benzoate
Technique GC/MS
Wiley ID DD2024_014818