| SpectraBase Compound ID | LLTQErDRv3s |
|---|---|
| InChI | InChI=1S/C11H21N3O4.C2HF3O2/c1-4-18-9(16)6-13-8(15)5-14-11(17)10(12)7(2)3;3-2(4,5)1(6)7/h7,10H,4-6,12H2,1-3H3,(H,13,15)(H,14,17);(H,6,7)/t10-;/m0./s1 |
| InChIKey | BODGOOSJZDTYGP-PPHPATTJSA-N |
| Mol Weight | 373.33 g/mol |
| Molecular Formula | C13H22F3N3O6 |
| Exact Mass | 373.14607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lbgqzq6vQiw |
|---|---|
| Name | Ethyl-valylglycylglycine-trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.146069923 u |
| Formula | C13H22F3N3O6 |
| InChI | InChI=1S/C11H21N3O4.C2HF3O2/c1-4-18-9(16)6-13-8(15)5-14-11(17)10(12)7(2)3;3-2(4,5)1(6)7/h7,10H,4-6,12H2,1-3H3,(H,13,15)(H,14,17);(H,6,7)/t10-;/m0./s1 |
| InChIKey | BODGOOSJZDTYGP-PPHPATTJSA-N |
| Molecular Weight | 373.329 g/mol |
| SMILES | C([O-])(C(F)(F)F)=O.C(NCC(NCC(=O)OCC)=O)([C@@]([NH3+])(C(C)C)[H])=O |