| SpectraBase Compound ID | HLmhPBH3uYm |
|---|---|
| InChI | InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1 |
| InChIKey | SJEYSFABYSGQBG-UHFFFAOYSA-M |
| Mol Weight | 566.66 g/mol |
| Molecular Formula | C27H31N2NaO6S2 |
| Exact Mass | 566.152123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZ8gMK5HCKk |
|---|---|
| Name | Alphazurine 2G |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 566.152123348 u |
| Formula | C27H31N2NaO6S2 |
| InChI | InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1 |
| InChIKey | SJEYSFABYSGQBG-UHFFFAOYSA-M |
| Molecular Weight | 566.663 g/mol |
| SMILES | C(C=1C=CC(=CC1S(=O)(=O)[O-])S(=O)(=O)O[Na])(=C1C=CC(C=C1)=[N+](CC)CC)C=1C=CC(=CC1)N(CC)CC |