| SpectraBase Compound ID | 3elfFIUwxzM |
|---|---|
| InChI | InChI=1S/C18H18N4O13/c23-4-6(25)12-21-3-1(8(4)33-12)2-9-5(24)7(26)13(34-9)22-16(30)20-14(28)18(31,32)17(2,22)35-10(3)11(27)19-15(21)29/h1-2,4-9,12-13,23-26,31-32H,(H,19,27,29)(H,20,28,30)/t1-,2+,4?,5?,6?,7?,8-,9-,12-,13-,17-/m1/s1 |
| InChIKey | MTWLGGZANOURBR-CTOJBXJUSA-N |
| Mol Weight | 498.36 g/mol |
| Molecular Formula | C18H18N4O13 |
| Exact Mass | 498.087037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqNATlavCRW |
|---|---|
| Name | MTWLGGZANOURBR-CTOJBXJUSA-N |
| Compound Number | 22B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H18N4O13 |
| InChI | InChI=1S/C18H18N4O13/c23-4-6(25)12-21-3-1(8(4)33-12)2-9-5(24)7(26)13(34-9)22-16(30)20-14(28)18(31,32)17(2,22)35-10(3)11(27)19-15(21)29/h1-2,4-9,12-13,23-26,31-32H,(H,19,27,29)(H,20,28,30)/t1-,2+,4?,5?,6?,7?,8-,9-,12-,13-,17-/m1/s1 |
| InChIKey | MTWLGGZANOURBR-CTOJBXJUSA-N |
| Literature Reference Author | I.M.SASSON,R.P.GAGNIER,B.A.OTTER |
| Literature Reference Citation | J.HETCYCL.CHEM.,20,753(1983) |
| Literature Reference DOI | 10.1002/jhet.5570200346 |
| Molecular Weight | 498.360 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS7118 |