| SpectraBase Compound ID | 294VNiVf39G |
|---|---|
| InChI | InChI=1S/C15H21NO6.ClH.2Na/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;;2*+1/p-2/b5-3+,8-4+;;;/t9?,10-,11+,13-;;;/m1.../s1 |
| InChIKey | LMBNMEBELRDVBN-PIZOQDMPSA-L |
| Mol Weight | 391.75853856 g/mol |
| Molecular Formula | C15H20ClNNa2O6 |
| Exact Mass | 391.077454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5qqITXJrGYx |
|---|---|
| Name | DOMOIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H20ClNNa2O6 |
| InChI | InChI=1S/C15H21NO6.ClH.2Na/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;;2*+1/p-2/b5-3+,8-4+;;;/t9?,10-,11+,13-;;;/m1.../s1 |
| InChIKey | LMBNMEBELRDVBN-PIZOQDMPSA-L |
| 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 | 391.759 g/mol |
| Solvent | D2O;PKA2=4.56 |
| Source File Reference | UWVP3233 |