| SpectraBase Spectrum ID |
JIvf722NmK0 |
| Name |
Buclosamide 2TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
419.035904544 u |
| Formula |
C15H12ClF6NO4 |
| InChI |
InChI=1S/C15H12ClF6NO4/c1-2-3-6-23(12(25)14(17,18)19)11(24)9-5-4-8(16)7-10(9)27-13(26)15(20,21)22/h4-5,7H,2-3,6H2,1H3 |
| InChIKey |
RUYHWKDHEHOSNL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
419.707 g/mol |
| Nominal Mass |
419 u |
| Quality |
993 |
| Retention Index |
1565 |
| SMILES |
C(N(C(C(F)(F)F)=O)CCCC)(C=1C(OC(C(F)(F)F)=O)=CC(=CC1)Cl)=O |
| SPLASH |
splash10-0zfr-3930000000-52ba50e00d3128726616 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(butyl(trifluoroacetyl)carbamoyl)-5-chlorophenyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011671 |
