| SpectraBase Compound ID | BUGSV5ZgAt7 |
|---|---|
| InChI | InChI=1S/2C16H18N7O7PS/c2*17-11-10(5-28-31(27,32)30-9-3-1-8(2-4-9)23(25)26)29-16(13(11)24)22-7-21-12-14(18)19-6-20-15(12)22/h2*1-4,6-7,10-11,13,16,24H,5,17H2,(H,27,32)(H2,18,19,20)/t2*10-,11-,13-,16-,31?/m00/s1 |
| InChIKey | QRMVDBIMHOMNRY-SJMOWNRBSA-N |
| Mol Weight | 966.79 g/mol |
| Molecular Formula | C32H36N14O14P2S2 |
| Exact Mass | 966.145208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lB7WwPxfii |
|---|---|
| Name | QRMVDBIMHOMNRY-SJMOWNRBSA-N |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H34N14O14P2S2 |
| InChI | InChI=1S/2C16H18N7O7PS/c2*17-11-10(5-28-31(27,32)30-9-3-1-8(2-4-9)23(25)26)29-16(13(11)24)22-7-21-12-14(18)19-6-20-15(12)22/h2*1-4,6-7,10-11,13,16,24H,5,17H2,(H,27,32)(H2,18,19,20)/t2*10-,11-,13-,16-,31?/m00/s1 |
| InChIKey | QRMVDBIMHOMNRY-SJMOWNRBSA-N |
| Literature Reference Author | M.MORR,L.ERNST |
| Literature Reference Citation | CHEM.BER.,111,2152(1978) |
| Literature Reference DOI | 10.1002/cber.19781110612 |
| Molecular Weight | 964.775 g/mol |
| Solvent | D2O,PD=8-10 |
| Source File Reference | UWCS8987 |