| SpectraBase Compound ID | FM1Ff2EYCcR |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16?,19-,20+/m0/s1 |
| InChIKey | XRDHAXIOHKTIGF-UKHUEATNSA-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 | 4AubyLorMPG |
|---|---|
| Name | (+-)-zoapatanol |
| 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/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16?,19-,20+/m0/s1 |
| InChIKey | XRDHAXIOHKTIGF-UKHUEATNSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | [C@]1(OC\C(CC[C@@]1(O)[H])=C/CO)(CCCC(C(CC=C(C)C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830852 |