| SpectraBase Compound ID | 1OqCaOIJn3g |
|---|---|
| InChI | InChI=1S/C44H54N7O8P/c1-28(2)41(52)48-43-47-40-39(42(53)49-43)46-27-50(40)38-25-36(59-60(57-24-12-23-45)51(29(3)4)30(5)6)37(58-38)26-56-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3,(H2,47,48,49,52,53)/t36-,37+,38+,60?/m0/s1 |
| InChIKey | FDRMKYVTIFSDPR-MMROLVBFSA-N |
| Mol Weight | 839.9 g/mol |
| Molecular Formula | C44H54N7O8P |
| Exact Mass | 839.377149 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1Yk6wtl1Iof |
|---|---|
| Name | DMT-d Guanosine (ibu) β-cyanoethylphosphoramidite |
| Source of Sample | Applied Biosystems, Thermo Fisher Scientific Inc. |
| Catalog Number | GEN066021 |
| Lot Number | 0301045 |
| CAS Registry Number | 93183-15-4 |
| Cell Type | NMR tube |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H54N7O8P |
| InChI | InChI=1S/C44H54N7O8P/c1-28(2)41(52)48-43-47-40-39(42(53)49-43)46-27-50(40)38-25-36(59-60(57-24-12-23-45)51(29(3)4)30(5)6)37(58-38)26-56-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3,(H2,47,48,49,52,53)/t36-,37+,38+,60?/m0/s1 |
| InChIKey | FDRMKYVTIFSDPR-MMROLVBFSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power | 1200 mW |
| Raman Laser Source | Nd:YAG |
| SMILES | N1\C(=N/c2[n]([C@]3(C[C@@]([C@](O3)(COC(c3ccccc3)(c3ccc(cc3)OC)c3ccc(cc3)OC)[H])(OP(N(C(C)C)C(C)C)OCCC#N)[H])[H])cnc2C1=O)NC(C(C)C)=O |
| Scans Performed | 2944 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |