| SpectraBase Compound ID | 25nrXZvTM5U |
|---|---|
| InChI | InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1 |
| InChIKey | CQYPGSKIFJFVDQ-QWFKVUSTSA-N |
| Mol Weight | 358.3 g/mol |
| Molecular Formula | C15H18O10 |
| Exact Mass | 358.089997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | cxczdrKF6z |
|---|---|
| Name | Esculin monohydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | E2809 |
| CAS Registry Number | 531-75-9 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18O10 |
| InChI | InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1 |
| InChIKey | CQYPGSKIFJFVDQ-QWFKVUSTSA-N |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Esculin hydrate |
| Wiley ID | SIAL_13CNMR_011808 |