| SpectraBase Compound ID | Davofk7bUAz |
|---|---|
| InChI | InChI=1S/C24H40O5/c1-9-23(7,27)20(28-16(2)25)15-19-22(6)13-10-12-21(4,5)18(22)11-14-24(19,8)29-17(3)26/h9,18-20,27H,1,10-15H2,2-8H3/t18-,19+,20+,22-,23?,24+/m0/s1 |
| InChIKey | JZXLWYFFWAOJER-QAQJLWKBSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C24H40O5 |
| Exact Mass | 408.287574 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LrBQPpbCEi3 |
|---|---|
| Name | Ptychantin m |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.287574383 u |
| Formula | C24H40O5 |
| InChI | InChI=1S/C24H40O5/c1-9-23(7,27)20(28-16(2)25)15-19-22(6)13-10-12-21(4,5)18(22)11-14-24(19,8)29-17(3)26/h9,18-20,27H,1,10-15H2,2-8H3/t18-,19+,20+,22-,23?,24+/m0/s1 |
| InChIKey | JZXLWYFFWAOJER-QAQJLWKBSA-N |
| Molecular Weight | 408.579 g/mol |
| SMILES | C[C@]1(CC[C@@]2([H])C(C)(C)CCC[C@]2(C)[C@]1(C[C@@](OC(C)=O)(C(C=C)(C)O)[H])[H])OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972392 |