![METHYL-(2S)-3-(m-CHLOROBENZOYLOXY)-N-TRIFLUOROACETYL-[2-2H]-ALANINATE](/api/spectrum/6kwR6lnFxKy/structure.png?h=300&w=458 "METHYL-(2S)-3-(m-CHLOROBENZOYLOXY)-N-TRIFLUOROACETYL-[2-2H]-ALANINATE")
| SpectraBase Compound ID | L52eptgKHYv |
|---|---|
| InChI | InChI=1S/C13H11ClF3NO5/c1-22-11(20)9(18-12(21)13(15,16)17)6-23-10(19)7-2-4-8(14)5-3-7/h2-5,9H,6H2,1H3,(H,18,21)/t9-/m1/s1/i9D |
| InChIKey | ORIWJTHZASFYNN-SFTFEADESA-N |
| Mol Weight | 354.69 g/mol |
| Molecular Formula | C13H102HClF3NO5 |
| Exact Mass | 354.034061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kwR6lnFxKy |
|---|---|
| Name | METHYL-(2S)-3-(m-CHLOROBENZOYLOXY)-N-TRIFLUOROACETYL-[2-2H]-ALANINATE |
| Compound Number | 47 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C13H11ClF3NO5/c1-22-11(20)9(18-12(21)13(15,16)17)6-23-10(19)7-2-4-8(14)5-3-7/h2-5,9H,6H2,1H3,(H,18,21)/t9-/m1/s1/i9D |
| InChIKey | ORIWJTHZASFYNN-SFTFEADESA-N |
| Literature Reference | J.E.ROSE,P.D.LEESON,D.GANI J.CHEM.SOC.PERKIN-1,157(1995) |
| Solvent | Chloroform-d |