| SpectraBase Compound ID | 1cTTzhEkVuN |
|---|---|
| InChI | InChI=1S/C22H31N5O12/c1-25-5-3-8(20(34)35)26(2)18(33)11(25)16(39-21-15(32)12(29)9(7-23)37-21)17-13(30)14(31)19(38-17)27-6-4-10(28)24-22(27)36/h3-4,6,9,11-17,19,21,29-32H,5,7,23H2,1-2H3,(H,34,35)(H,24,28,36)/t9?,11?,12-,13+,14-,15-,16?,17?,19+,21-/m1/s1 |
| InChIKey | NNRRJUQQUMBTMH-BBBXBYPNSA-N |
| Mol Weight | 557.51 g/mol |
| Molecular Formula | C22H31N5O12 |
| Exact Mass | 557.196921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrKSAI6EbcW |
|---|---|
| Name | NNRRJUQQUMBTMH-BBBXBYPNSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31N5O12 |
| InChI | InChI=1S/C22H31N5O12/c1-25-5-3-8(20(34)35)26(2)18(33)11(25)16(39-21-15(32)12(29)9(7-23)37-21)17-13(30)14(31)19(38-17)27-6-4-10(28)24-22(27)36/h3-4,6,9,11-17,19,21,29-32H,5,7,23H2,1-2H3,(H,34,35)(H,24,28,36)/t9?,11?,12-,13+,14-,15-,16?,17?,19+,21-/m1/s1 |
| InChIKey | NNRRJUQQUMBTMH-BBBXBYPNSA-N |
| Literature Reference Author | M.UBUKATA,K.I.KIMURA,K.ISONO,C.C.NELSON,J.M.GREGSON,J.A.MCCL OSKEY |
| Literature Reference Citation | J.ORG.CHEM.,57,6392(1992) |
| Literature Reference DOI | 10.1021/jo00050a009 |
| Molecular Weight | 557.514 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS13461 |