| SpectraBase Compound ID | boqVtbCW6L |
|---|---|
| InChI | InChI=1S/C21H18O11.O/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29;/h1-7,16-19,21,23-27H,(H,28,29);/t16-,17-,18+,19-,21+;/m0./s1 |
| InChIKey | KSLHBCIQDVISII-ZSESPEEFSA-N |
| Mol Weight | 462.36 g/mol |
| Molecular Formula | C21H18O12 |
| Exact Mass | 462.079826 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | DVaWqmxf28n |
|---|---|
| Name | Baicalin hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 375756 |
| CAS Registry Number | 206752-33-2 |
| Comments | MW calculated on anhydrous base |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H18O11*xH2O |
| InChI | InChI=1S/C21H18O11.O/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29;/h1-7,16-19,21,23-27H,(H,28,29);/t16-,17-,18+,19-,21+;/m0./s1 |
| InChIKey | KSLHBCIQDVISII-ZSESPEEFSA-N |
| Synonyms | Baicalein 7-beta-D-glucopyranosiduronate |
| Wiley ID | SIAL_ATR-IR_017551 |