| SpectraBase Compound ID | 1I5ECmAPmwB |
|---|---|
| InChI | InChI=1S/C22H20Br4N10O3.2C2HF3O2/c23-9-7-12(31-15(9)25)17(37)29-5-1-3-11-14(34-20(27)33-11)22(19(39)35-21(28)36-22)4-2-6-30-18(38)13-8-10(24)16(26)32-13;2*3-2(4,5)1(6)7/h1-4,7-8,31-32H,5-6H2,(H,29,37)(H,30,38)(H3,27,33,34)(H3,28,35,36,39);2*(H,6,7)/b3-1+,4-2+;;/t22-;;/m1../s1 |
| InChIKey | UEAARLSSKYAYDI-QSRFCXPSSA-N |
| Mol Weight | 1020.131 g/mol |
| Molecular Formula | C26H22Br4F6N10O7 |
| Exact Mass | 1015.831064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wYf6bQXAMA |
|---|---|
| Name | MAURITIAMINE;NATURAL-PRODUCT |
| Compound Number | 1*TFA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H22Br4F6N10O7 |
| InChI | InChI=1S/C22H20Br4N10O3.2C2HF3O2/c23-9-7-12(31-15(9)25)17(37)29-5-1-3-11-14(34-20(27)33-11)22(19(39)35-21(28)36-22)4-2-6-30-18(38)13-8-10(24)16(26)32-13;2*3-2(4,5)1(6)7/h1-4,7-8,31-32H,5-6H2,(H,29,37)(H,30,38)(H3,27,33,34)(H3,28,35,36,39);2*(H,6,7)/b3-1+,4-2+;;/t22-;;/m1../s1 |
| InChIKey | UEAARLSSKYAYDI-QSRFCXPSSA-N |
| Literature Reference Author | A.OLOFSON,K.YAKUSHIJIN,D.A.HORNE |
| Literature Reference Citation | J.ORG.CHEM.,63,5787(1998) |
| Literature Reference DOI | 10.1021/jo972295d |
| Molecular Weight | 1020.130 g/mol |
| Sample ID | 28602 |
| Solvent | CD3OD |