| SpectraBase Compound ID | I33dreQmXZg |
|---|---|
| InChI | InChI=1S/C18H17N3O.2C2HF3O2/c1-22-15-10-11(6-8-19)17-16-13(7-9-20-18(15)16)12-4-2-3-5-14(12)21-17;2*3-2(4,5)1(6)7/h2-5,7,9-10,21H,6,8,19H2,1H3;2*(H,6,7) |
| InChIKey | UFQSRLPQJKHFKV-UHFFFAOYSA-N |
| Mol Weight | 519.4 g/mol |
| Molecular Formula | C22H19F6N3O5 |
| Exact Mass | 519.12289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pppfeDYg4j |
|---|---|
| Name | O-METHYL-STYELSAMINE-D-DITRIFLUOROACETATE |
| Compound Number | 4 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H19F6N3O5 |
| InChI | InChI=1S/C18H17N3O.2C2HF3O2/c1-22-15-10-11(6-8-19)17-16-13(7-9-20-18(15)16)12-4-2-3-5-14(12)21-17;2*3-2(4,5)1(6)7/h2-5,7,9-10,21H,6,8,19H2,1H3;2*(H,6,7) |
| InChIKey | UFQSRLPQJKHFKV-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 | 519.400 g/mol |
| Source File Reference | UWLU74744 |