| SpectraBase Compound ID | EpVFMtVH0Ix |
|---|---|
| InChI | InChI=1S/C27H30O16.3H2O/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;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1 |
| InChIKey | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
| Mol Weight | 664.566 g/mol |
| Molecular Formula | C27H36O19 |
| Exact Mass | 664.185079 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 5kkIQXklEfw |
|---|---|
| Name | Rutin trihydrate |
| Source of Sample | Indofine Chemical Company, Inc. |
| Catalog Number | 020080 |
| Lot Number | 1007053 |
| Apodization Function | Triangular |
| CAS Registry Number | 30311-61-6 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O19 |
| InChI | InChI=1S/C27H30O16.3H2O/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;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1 |
| InChIKey | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | Oc1cc(c2C(\C(=C\(c3ccc(c(c3)O)O)Oc2c1)O[C@]1([C@@]([C@]([C@@]([C@](O1)(CO[C@]1([C@@]([C@@]([C@]([C@@](O1)(C)[H])(O)[H])(O)[H])(O)[H])[H])[H])(O)[H])(O)[H])(O)[H])[H])=O)O.O.O.O |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Quercitin-3-rutinoside |
| Technique | KBr0 |