| SpectraBase Compound ID | 92TlhhNoXXZ |
|---|---|
| InChI | InChI=1S/C21H23Br2N7O4.C2HF3O2/c1-34-20(33)17-12(7-28-19(32)14-3-10(23)5-26-14)11(16(17)15-8-29-21(24)30-15)6-27-18(31)13-2-9(22)4-25-13;3-2(4,5)1(6)7/h2-5,8,11-12,16-17,25-26H,6-7H2,1H3,(H,27,31)(H,28,32)(H3,24,29,30);(H,6,7)/t11-,12-,16-,17+;/m0./s1 |
| InChIKey | JHLDRASDZLAVJD-OQULADFRSA-N |
| Mol Weight | 711.29 g/mol |
| Molecular Formula | C23H24Br2F3N7O6 |
| Exact Mass | 709.010692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImJTburAnMF |
|---|---|
| Name | NAKAMURIC_ACID_METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H24Br2F3N7O6 |
| InChI | InChI=1S/C21H23Br2N7O4.C2HF3O2/c1-34-20(33)17-12(7-28-19(32)14-3-10(23)5-26-14)11(16(17)15-8-29-21(24)30-15)6-27-18(31)13-2-9(22)4-25-13;3-2(4,5)1(6)7/h2-5,8,11-12,16-17,25-26H,6-7H2,1H3,(H,27,31)(H,28,32)(H3,24,29,30);(H,6,7)/t11-,12-,16-,17+;/m0./s1 |
| InChIKey | JHLDRASDZLAVJD-OQULADFRSA-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 | 711.290 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2532 |