| SpectraBase Spectrum ID |
2mw3Tn4n5u4 |
| Name |
Benzocaine TFA |
| Classification |
Local anesthetic derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
261.061277672 u |
| Formula |
C11H10F3NO3 |
| InChI |
InChI=1S/C11H10F3NO3/c1-2-18-9(16)7-3-5-8(6-4-7)15-10(17)11(12,13)14/h3-6H,2H2,1H3,(H,15,17) |
| InChIKey |
QHYQXLZAPVFNKW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
261.200 g/mol |
| Nominal Mass |
261 u |
| Quality |
1000 |
| Retention Index |
1950 |
| SMILES |
C(NC1=CC=C(C(OCC)=O)C=C1)(C(F)(F)F)=O |
| SPLASH |
splash10-014i-4790000000-04e76c31173002a0cbaa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 4-((trifluoroacetyl)amino)benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018334 |
