| SpectraBase Compound ID | JZIjoFYGb3h |
|---|---|
| InChI | InChI=1S/C15H17F9N4O6/c1-2-3-5-28(11(33)15(22,23)24)7(8(29)30)4-6-34-27-12(25-9(31)13(16,17)18)26-10(32)14(19,20)21/h7H,2-6H2,1H3,(H,29,30)(H2,25,26,27,31,32)/t7-/m0/s1 |
| InChIKey | URALEMYCVRLGAH-ZETCQYMHSA-N |
| Mol Weight | 520.31 g/mol |
| Molecular Formula | C15H17F9N4O6 |
| Exact Mass | 520.100438 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 25hDfPpYEZN |
|---|---|
| Name | Canavanine-N-triTFA-n-butyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H17F9N4O6 |
| InChI | InChI=1S/C15H17F9N4O6/c1-2-3-5-28(11(33)15(22,23)24)7(8(29)30)4-6-34-27-12(25-9(31)13(16,17)18)26-10(32)14(19,20)21/h7H,2-6H2,1H3,(H,29,30)(H2,25,26,27,31,32)/t7-/m0/s1 |
| InChIKey | URALEMYCVRLGAH-ZETCQYMHSA-N |
| Molecular Weight | 520.309 g/mol |
| SMILES | OC([C@](CCON=C(NC(C(F)(F)F)=O)NC(C(F)(F)F)=O)(N(C(C(F)(F)F)=O)CCCC)[H])=O |
| SPLASH | splash10-0ldl-8910000000-0b63be57e03e768b9c8f |
| Source of Spectrum | JZ-1992-3000-0 |
| Synonyms | (2S)-4-[({bis[(trifluoroacetyl)amino]methylene}amino)oxy]-2-[butyl(trifluoroacetyl)amino]butanoic acid |
| Wiley ID | 1401872 |