![(R/S)-1-{5'-Deoxy-5'-[1"-(S)-methoxycarbonyl-3"-methyl-n-butylamino]-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil](/api/spectrum/7PGqOh85hyz/structure.png?h=300&w=458 "(R/S)-1-{5'-Deoxy-5'-[1\"-(S)-methoxycarbonyl-3\"-methyl-n-butylamino]-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil")
| SpectraBase Compound ID | 89hYh6kDJly |
|---|---|
| InChI | InChI=1S/C20H28N4O7/c1-10(2)8-11(18(26)28-5)22-12(9-21)14-15-16(31-20(3,4)30-15)17(29-14)24-7-6-13(25)23-19(24)27/h6-7,10-12,14-17,22H,8H2,1-5H3,(H,23,25,27)/t11-,12?,14-,15-,16-,17-/m0/s1 |
| InChIKey | NVHALXMWWZHFDZ-CRUKXFHLSA-N |
| Mol Weight | 436.47 g/mol |
| Molecular Formula | C20H28N4O7 |
| Exact Mass | 436.195799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7PGqOh85hyz |
|---|---|
| Name | (R/S)-1-{5'-Deoxy-5'-[1"-(S)-methoxycarbonyl-3"-methyl-n-butylamino]-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28N4O7 |
| InChI | InChI=1S/C20H28N4O7/c1-10(2)8-11(18(26)28-5)22-12(9-21)14-15-16(31-20(3,4)30-15)17(29-14)24-7-6-13(25)23-19(24)27/h6-7,10-12,14-17,22H,8H2,1-5H3,(H,23,25,27)/t11-,12?,14-,15-,16-,17-/m0/s1 |
| InChIKey | NVHALXMWWZHFDZ-CRUKXFHLSA-N |
| Molecular Weight | 436.465 g/mol |
| SMILES | N(C([C@]1([C@]2([C@@]([C@@](N3C(NC(C=C3)=O)=O)(O1)[H])(OC(O2)(C)C)[H])[H])[H])C#N)[C@](C(=O)OC)(CC(C)C)[H] |
| SPLASH | splash10-016r-0009100000-c737657fe4b920cd36c0 |
| Source of Spectrum | SO-0-979-13 |
| Wiley ID | 1539593 |