| SpectraBase Compound ID | IlsHEkoB3fK |
|---|---|
| InChI | InChI=1S/C24H32O8/c1-13-11-15-9-8-10-16(27-4)19(15)21(18(13)14(2)25)32-24-23(30-7)22(29-6)20(28-5)17(31-24)12-26-3/h8-11,17,20,22-24H,12H2,1-7H3/t17-,20-,22+,23-,24+/m1/s1 |
| InChIKey | KSBCLNUQEZFFTL-VYJJCVKJSA-N |
| Mol Weight | 448.5 g/mol |
| Molecular Formula | C24H32O8 |
| Exact Mass | 448.209718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Byml4b2BYuc |
|---|---|
| Name | Neposide, 5me derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.209717982 u |
| Formula | C24H32O8 |
| InChI | InChI=1S/C24H32O8/c1-13-11-15-9-8-10-16(27-4)19(15)21(18(13)14(2)25)32-24-23(30-7)22(29-6)20(28-5)17(31-24)12-26-3/h8-11,17,20,22-24H,12H2,1-7H3/t17-,20-,22+,23-,24+/m1/s1 |
| InChIKey | KSBCLNUQEZFFTL-VYJJCVKJSA-N |
| Molecular Weight | 448.512 g/mol |
| SMILES | C(C)(C1=C(C2=C(C=C1C)C=CC=C2OC)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882156 |