| SpectraBase Compound ID | HAttwwsbESZ |
|---|---|
| InChI | InChI=1S/C18H28N4O7/c1-11(23)21-6-4-20(5-7-21)9-12-3-8-29-18-13(24)16(2,27)10-22(18)15(26)17(12,28)19-14(18)25/h12-13,24,27-28H,3-10H2,1-2H3,(H,19,25)/t12-,13+,16+,17-,18+/m1/s1 |
| InChIKey | WVUBBMPLLXFGCX-QXBKKUCYSA-N |
| Mol Weight | 412.44 g/mol |
| Molecular Formula | C18H28N4O7 |
| Exact Mass | 412.195799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AE4GFBDSRIF |
|---|---|
| Name | WVUBBMPLLXFGCX-QXBKKUCYSA-N |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H28N4O7 |
| InChI | InChI=1S/C18H28N4O7/c1-11(23)21-6-4-20(5-7-21)9-12-3-8-29-18-13(24)16(2,27)10-22(18)15(26)17(12,28)19-14(18)25/h12-13,24,27-28H,3-10H2,1-2H3,(H,19,25)/t12-,13+,16+,17-,18+/m1/s1 |
| InChIKey | WVUBBMPLLXFGCX-QXBKKUCYSA-N |
| Literature Reference Author | M.A.VELA,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,57,5223(1992) |
| Literature Reference DOI | 10.1021/jo00045a041 |
| Molecular Weight | 412.443 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS2995 |