| SpectraBase Compound ID | GZ8WRPeiA9H |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-14-4-5-15-17(2,12-21)16(22)6-7-18(15,3)20(14)9-8-19(24-20)10-11-23-13-19/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1 |
| InChIKey | UMRJYIFXXDLEKW-IPOQXWOTSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3tgUBJ7R0uJ |
|---|---|
| Name | Anhydrolagochilin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-14-4-5-15-17(2,12-21)16(22)6-7-18(15,3)20(14)9-8-19(24-20)10-11-23-13-19/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1 |
| InChIKey | UMRJYIFXXDLEKW-IPOQXWOTSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | [C@]12([C@]3(O[C@]4(CCOC4)CC3)[C@](C)(CC[C@]1([C@@](CO)(C)[C@](CC2)(O)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944724 |