| SpectraBase Compound ID | AwbLeYPIk4U |
|---|---|
| InChI | InChI=1S/C27H50N4O12/c1-25(2,3)41-22(36)29-11-14-17(33)18(34)15(28)21(39-14)40-20-13(31-24(38)43-27(7,8)9)10-12(16(32)19(20)35)30-23(37)42-26(4,5)6/h12-21,32-35H,10-11,28H2,1-9H3,(H,29,36)(H,30,37)(H,31,38)/t12-,13+,14+,15+,16+,17+,18+,19-,20-,21+/m0/s1 |
| InChIKey | SMTLTMDETAHNMV-LWOWCKIPSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C27H50N4O12 |
| Exact Mass | 622.342523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARxEQP3pmMC |
|---|---|
| Name | 1,3,6'-N-(TERT.-BUTOXYCARBONYL)-NEAMINE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H50N4O12 |
| InChI | InChI=1S/C27H50N4O12/c1-25(2,3)41-22(36)29-11-14-17(33)18(34)15(28)21(39-14)40-20-13(31-24(38)43-27(7,8)9)10-12(16(32)19(20)35)30-23(37)42-26(4,5)6/h12-21,32-35H,10-11,28H2,1-9H3,(H,29,36)(H,30,37)(H,31,38)/t12-,13+,14+,15+,16+,17+,18+,19-,20-,21+/m0/s1 |
| InChIKey | SMTLTMDETAHNMV-LWOWCKIPSA-N |
| Literature Reference Author | I.GRAPSAS,Y.J.CHO,S.MOBASHERY |
| Literature Reference Citation | J.ORG.CHEM.,59,1918(1994) |
| Literature Reference DOI | 10.1021/jo00086a055 |
| Molecular Weight | 622.714 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP1366 |