| SpectraBase Compound ID | J6s3QAhYDLF |
|---|---|
| InChI | InChI=1S/C20H21Br2N7O4.C2HF3O2/c21-8-1-12(24-3-8)17(30)26-5-10-11(6-27-18(31)13-2-9(22)4-25-13)16(19(32)33)15(10)14-7-28-20(23)29-14;3-2(4,5)1(6)7/h1-4,7,10-11,15-16,24-25H,5-6H2,(H,26,30)(H,27,31)(H,32,33)(H3,23,28,29);(H,6,7)/t10-,11-,15-,16+;/m0./s1 |
| InChIKey | ILVGNSGRFLSMAS-FJEIGDNZSA-N |
| Mol Weight | 697.26 g/mol |
| Molecular Formula | C22H22Br2F3N7O6 |
| Exact Mass | 694.995042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPR3p8pO57B |
|---|---|
| Name | NAKAMURIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22Br2F3N7O6 |
| InChI | InChI=1S/C20H21Br2N7O4.C2HF3O2/c21-8-1-12(24-3-8)17(30)26-5-10-11(6-27-18(31)13-2-9(22)4-25-13)16(19(32)33)15(10)14-7-28-20(23)29-14;3-2(4,5)1(6)7/h1-4,7,10-11,15-16,24-25H,5-6H2,(H,26,30)(H,27,31)(H,32,33)(H3,23,28,29);(H,6,7)/t10-,11-,15-,16+;/m0./s1 |
| InChIKey | ILVGNSGRFLSMAS-FJEIGDNZSA-N |
| Literature Reference Author | C.EDER,P.PROKSCH,V.WRAY,R.W.M.V.SOEST,E.FERDINANDUS,L.A.PATT ISINA,X.SUDARSONO |
| Literature Reference Citation | J.NAT.PROD.,62,1295(1999) |
| Literature Reference DOI | 10.1021/np990071f |
| Molecular Weight | 697.263 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2531 |