| SpectraBase Compound ID | 1CE4qOdTnfF |
|---|---|
| InChI | InChI=1S/C18H23F3N2O5/c1-17(2,3)28-15(24)14(22-16(25)18(19,20)21)13(11-23(26)27)10-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,22,25)/t13-,14-/m0/s1 |
| InChIKey | ALWDZXGPCFLOTD-KBPBESRZSA-N |
| Mol Weight | 404.39 g/mol |
| Molecular Formula | C18H23F3N2O5 |
| Exact Mass | 404.155906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZuIhQn1cYY |
|---|---|
| Name | SYN-2-(TRIFLUORACETYL)-AMINO-3-NITROMETHYL-5-PHENYLPENTOIC-ACID-TERT.-BUTYLESTER |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H23F3N2O5 |
| InChI | InChI=1S/C18H23F3N2O5/c1-17(2,3)28-15(24)14(22-16(25)18(19,20)21)13(11-23(26)27)10-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,22,25)/t13-,14-/m0/s1 |
| InChIKey | ALWDZXGPCFLOTD-KBPBESRZSA-N |
| Literature Reference Author | B.MENDLER,U.KAZMAIER |
| Literature Reference Citation | ORG.LETTERS,7,1715(2005) |
| Literature Reference DOI | 10.1021/ol050129j |
| Molecular Weight | 404.386 g/mol |
| Sample ID | 62112 |
| Solvent | Unknown |