| SpectraBase Compound ID | 1DycuP1XkJj |
|---|---|
| InChI | InChI=1S/C15H21NO6.ClH.3Na/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18;;;;/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22);1H;;;/q;;3*+1/p-3/b5-3+,8-4+;;;;/t9?,10-,11+,13-;;;;/m1..../s1 |
| InChIKey | FGAVOCCGFOEWLO-RKLFDXGFSA-K |
| Mol Weight | 413.74030785 g/mol |
| Molecular Formula | C15H19ClNNa3O6 |
| Exact Mass | 413.059398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90Tz19DKclX |
|---|---|
| Name | DOMOIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H19ClNNa3O6 |
| InChI | InChI=1S/C15H21NO6.ClH.3Na/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18;;;;/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22);1H;;;/q;;3*+1/p-3/b5-3+,8-4+;;;;/t9?,10-,11+,13-;;;;/m1..../s1 |
| InChIKey | FGAVOCCGFOEWLO-RKLFDXGFSA-K |
| Literature Reference Author | J.A.WALTER,D.M.LEEK,M.FALK |
| Literature Reference Citation | CAN.J.CHEM.,70,1156(1992) |
| Literature Reference DOI | 10.1139/v92-151 |
| Molecular Weight | 413.741 g/mol |
| Solvent | H2O;PKA3=4.77 |
| Source File Reference | UWVP3229 |