| SpectraBase Compound ID | Ehks5XnzEGl |
|---|---|
| InChI | InChI=1S/C19H24BrN3O3S/c1-19(2,3)26-18(24)22-15-9-27-10-25-23-7-6-13-12-5-4-11(20)8-14(12)21-16(13)17(15)23/h4-5,8,15,17,21H,6-7,9-10H2,1-3H3,(H,22,24)/t15-,17+/m1/s1 |
| InChIKey | XMUXPAPZVGTHAR-WBVHZDCISA-N |
| Mol Weight | 454.38 g/mol |
| Molecular Formula | C19H24BrN3O3S |
| Exact Mass | 453.072176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrAboC0lDVg |
|---|---|
| Name | (-)-N-(tert-butoxycarbonyl)eudistomin K |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.072175816 u |
| Formula | C19H24BrN3O3S |
| InChI | InChI=1S/C19H24BrN3O3S/c1-19(2,3)26-18(24)22-15-9-27-10-25-23-7-6-13-12-5-4-11(20)8-14(12)21-16(13)17(15)23/h4-5,8,15,17,21H,6-7,9-10H2,1-3H3,(H,22,24)/t15-,17+/m1/s1 |
| InChIKey | XMUXPAPZVGTHAR-WBVHZDCISA-N |
| Molecular Weight | 454.383 g/mol |
| SMILES | C=12[C@@]3([C@](NC(OC(C)(C)C)=O)(CSCON3CCC1C1=CC=C(C=C1N2)Br)[H])[H] |