![2-[(1R,3R,4R)-3-(tert-butoxycarbonylamino)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)cyclohexyl]acetic acid](/api/spectrum/9NDgRz46guZ/structure.png?h=300&w=458 "2-[(1R,3R,4R)-3-(tert-butoxycarbonylamino)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)cyclohexyl]acetic acid")
| SpectraBase Compound ID | 8KGDgWOZjBl |
|---|---|
| InChI | InChI=1S/C18H27N3O6/c1-10-9-21(16(25)20-15(10)24)13-6-5-11(8-14(22)23)7-12(13)19-17(26)27-18(2,3)4/h9,11-13H,5-8H2,1-4H3,(H,19,26)(H,22,23)(H,20,24,25)/t11-,12-,13-/m1/s1 |
| InChIKey | YDWLNZWASSDIDZ-JHJVBQTASA-N |
| Mol Weight | 381.43 g/mol |
| Molecular Formula | C18H27N3O6 |
| Exact Mass | 381.189986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NDgRz46guZ |
|---|---|
| Name | 2-[(1R,3R,4R)-3-(tert-butoxycarbonylamino)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)cyclohexyl]acetic acid |
| Compound Number | 1659 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H27N3O6 |
| InChI | InChI=1S/C18H27N3O6/c1-10-9-21(16(25)20-15(10)24)13-6-5-11(8-14(22)23)7-12(13)19-17(26)27-18(2,3)4/h9,11-13H,5-8H2,1-4H3,(H,19,26)(H,22,23)(H,20,24,25)/t11-,12-,13-/m1/s1 |
| InChIKey | YDWLNZWASSDIDZ-JHJVBQTASA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 381.429 g/mol |
| Sample ID | 3670 |
| Solvent | DMSO-D6 |