| SpectraBase Compound ID | EMlGSz8mkHf |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-15-8-7-9-18-21(15,3)12-10-16(2)22(18,4)13-11-17-14-19(23-5)25-20(17)24-6/h11,16,18-20H,1,7-10,12-14H2,2-6H3/b17-11-/t16-,18+,19?,20?,21+,22+/m1/s1 |
| InChIKey | BBQOFGIJBMAVED-AXDQHMBBSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5QQHpO5kZKq |
|---|---|
| Name | 15,16-Epoxy-15,16-dimethoxy-(ent)-cleroda-4(18),12Z-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.266445016 u |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-15-8-7-9-18-21(15,3)12-10-16(2)22(18,4)13-11-17-14-19(23-5)25-20(17)24-6/h11,16,18-20H,1,7-10,12-14H2,2-6H3/b17-11-/t16-,18+,19?,20?,21+,22+/m1/s1 |
| InChIKey | BBQOFGIJBMAVED-AXDQHMBBSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | [C@@]12([C@@]([C@](C\C=C/3C(OC(C3)OC)OC)(C)[C@@](CC1)(C)[H])(CCCC2=C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858933 |