| SpectraBase Compound ID | IszZQSwwReP |
|---|---|
| InChI | InChI=1S/C19H36N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-21(20-27)13-28-19-16(24)14(22)15(23)17(29-19)18(25)26/h14-17,19,22-24H,2-13H2,1H3,(H,25,26)/t14-,15-,16+,17-,19+/m0/s1 |
| InChIKey | MYWHKJMZYDJWAT-YUAHOQAQSA-N |
| Mol Weight | 420.5 g/mol |
| Molecular Formula | C19H36N2O8 |
| Exact Mass | 420.247166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12NTgRqulOj |
|---|---|
| Name | N-Nitroso-dodecylaminomethyl-B-D-glucuronide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.247166119 u |
| Formula | C19H36N2O8 |
| InChI | InChI=1S/C19H36N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-21(20-27)13-28-19-16(24)14(22)15(23)17(29-19)18(25)26/h14-17,19,22-24H,2-13H2,1H3,(H,25,26)/t14-,15-,16+,17-,19+/m0/s1 |
| InChIKey | MYWHKJMZYDJWAT-YUAHOQAQSA-N |
| Molecular Weight | 420.503 g/mol |
| SMILES | O[C@]1([C@@]([C@@](C(O)=O)(O[C@]([C@@]1(O)[H])(OCN(CCCCCCCCCCCC)N=O)[H])[H])(O)[H])[H] |