| SpectraBase Compound ID | 3gfgE3BlL0B |
|---|---|
| InChI | InChI=1S/C18H30N4O8S/c1-9(23)21-11(13(24)20-3)7-31-6-10-4-5-29-12(10)14(25)22-18(16(19)27)15(26)17(2,28)8-30-18/h10-12,15,26,28H,4-8H2,1-3H3,(H2,19,27)(H,20,24)(H,21,23)(H,22,25) |
| InChIKey | RHOTUAVUALREEB-UHFFFAOYSA-N |
| Mol Weight | 462.52 g/mol |
| Molecular Formula | C18H30N4O8S |
| Exact Mass | 462.178435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RqmMJPbBBi |
|---|---|
| Name | RHOTUAVUALREEB-UHFFFAOYSA-N |
| Compound Number | 13B-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H30N4O8S |
| InChI | InChI=1S/C18H30N4O8S/c1-9(23)21-11(13(24)20-3)7-31-6-10-4-5-29-12(10)14(25)22-18(16(19)27)15(26)17(2,28)8-30-18/h10-12,15,26,28H,4-8H2,1-3H3,(H2,19,27)(H,20,24)(H,21,23)(H,22,25) |
| InChIKey | RHOTUAVUALREEB-UHFFFAOYSA-N |
| Literature Reference Author | S.ABUZAR,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,3114(1990) |
| Literature Reference DOI | 10.1021/ja00164a036 |
| Molecular Weight | 462.518 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6601 |