| SpectraBase Compound ID | CHRUoSoRLUT |
|---|---|
| InChI | InChI=1S/C27H30O16.H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27+;/m1./s1 |
| InChIKey | PGHSKTKIQIBATG-ZCCYBQHWSA-N |
| Mol Weight | 628.54 g/mol |
| Molecular Formula | C27H32O17 |
| Exact Mass | 628.16395 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 9aAknsH3cc6 |
|---|---|
| Name | Rutin hydrate |
| Source of Sample | Sigma-Aldrich |
| Catalog Number | R2303 |
| CAS Registry Number | 207671-50-9 |
| Classification | Aromatic ketones |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32O17 |
| InChI | InChI=1S/C27H30O16.H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27+;/m1./s1 |
| InChIKey | PGHSKTKIQIBATG-ZCCYBQHWSA-N |
| Purity | 95% |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Quercetin-3-rutinoside hydrate Vitamin P hydrate |
| Technique | Neat |
| Wiley ID | SIAL_FTIR_1_10754 |