| SpectraBase Compound ID | BtTbV25Dc87 |
|---|---|
| InChI | InChI=1S/C12H20F3NO3S/c1-4-5-7-16(11(18)12(13,14)15)9(6-8-20-3)10(17)19-2/h9H,4-8H2,1-3H3 |
| InChIKey | WIFWLQFCTXMCOE-UHFFFAOYSA-N |
| Mol Weight | 315.35 g/mol |
| Molecular Formula | C12H20F3NO3S |
| Exact Mass | 315.111599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hlq3AyhI97L |
|---|---|
| Name | N-Trifluoroacetyl-N-butyl-L-methionine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.111599168 u |
| Formula | C12H20F3NO3S |
| InChI | InChI=1S/C12H20F3NO3S/c1-4-5-7-16(11(18)12(13,14)15)9(6-8-20-3)10(17)19-2/h9H,4-8H2,1-3H3 |
| InChIKey | WIFWLQFCTXMCOE-UHFFFAOYSA-N |
| Molecular Weight | 315.351 g/mol |
| SMILES | CSCCC(C(OC)=O)N(C(C(F)(F)F)=O)CCCC |