| SpectraBase Compound ID | BQf1YNZsSuJ |
|---|---|
| InChI | InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 |
| InChIKey | YKRGDOXKVOZESV-WRJNSLSBSA-N |
| Mol Weight | 480.47 g/mol |
| Molecular Formula | C23H28O11 |
| Exact Mass | 480.163162 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | IKL99KlmzrQ |
|---|---|
| Name | Paeoniflorin |
| Source of Sample | Chinese National Institutes for Food & Drug Control |
| CAS Registry Number | 23180-57-6 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28O11 |
| InChI | InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 |
| InChIKey | YKRGDOXKVOZESV-WRJNSLSBSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | O[C@]1([C@@]([C@]([C@@](O[C@@]1(CO)[H])(O[C@@]12C[C@@]3([C@]2([C@]2(O[C@@]3(C[C@@]1(O2)C)O)[H])COC(c1ccccc1)=O)[H])[H])(O)[H])(O)[H])[H] |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |