| SpectraBase Spectrum ID |
JEmcniaoi3c |
| Name |
Buclosamide TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
323.053605469 u |
| Formula |
C13H13ClF3NO3 |
| InChI |
InChI=1S/C13H13ClF3NO3/c1-2-3-6-18-11(19)9-5-4-8(14)7-10(9)21-12(20)13(15,16)17/h4-5,7H,2-3,6H2,1H3,(H,18,19) |
| InChIKey |
ZJPHZPUYFVFMQN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
323.699 g/mol |
| Nominal Mass |
323 u |
| Quality |
958 |
| Retention Index |
1736 |
| SMILES |
C=1(C(C(NCCCC)=O)=CC=C(C1)Cl)OC(C(F)(F)F)=O |
| SPLASH |
splash10-0udi-4980000000-d1596b0d46f85c9d185c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(butylcarbamoyl)-5-chlorophenyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011672 |
