| SpectraBase Compound ID | 1ogf5pfzhDX |
|---|---|
| InChI | InChI=1S/C27H25N3O2.C2HF3O2/c1-32-23-17-19(13-15-28-24(31)12-11-18-7-3-2-4-8-18)26-25-21(14-16-29-27(23)25)20-9-5-6-10-22(20)30-26;3-2(4,5)1(6)7/h2-10,14,16-17,30H,11-13,15H2,1H3,(H,28,31);(H,6,7) |
| InChIKey | ZLSJEDIKYAMTGS-UHFFFAOYSA-N |
| Mol Weight | 537.54 g/mol |
| Molecular Formula | C29H26F3N3O4 |
| Exact Mass | 537.187541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQUKQjnYERG |
|---|---|
| Name | O-METHYL-STYELSAMINE-N(14)-3-PHENYLPROPANAMIDE-TRIFLUOROACETATE |
| Compound Number | 48 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H26F3N3O4 |
| InChI | InChI=1S/C27H25N3O2.C2HF3O2/c1-32-23-17-19(13-15-28-24(31)12-11-18-7-3-2-4-8-18)26-25-21(14-16-29-27(23)25)20-9-5-6-10-22(20)30-26;3-2(4,5)1(6)7/h2-10,14,16-17,30H,11-13,15H2,1H3,(H,28,31);(H,6,7) |
| InChIKey | ZLSJEDIKYAMTGS-UHFFFAOYSA-N |
| Literature Reference Author | H.K.H.FONG,B.R.COPP |
| Literature Reference Citation | MAR.DRUGS,11,274(2013) |
| Literature Reference DOI | 10.3390/md11020274 |
| Molecular Weight | 537.538 g/mol |
| Source File Reference | UWLU74747 |