| SpectraBase Compound ID | DCv1RVESu9b |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-17-20(3,4)9-6-10-21(17,23)12-16(14)18(22)19(15)24-5/h11,13,17,22-23H,6-10,12H2,1-5H3 |
| InChIKey | ZDTGWUOVMWQKPA-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FOixTSaji1q |
|---|---|
| Name | Salvicanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-17-20(3,4)9-6-10-21(17,23)12-16(14)18(22)19(15)24-5/h11,13,17,22-23H,6-10,12H2,1-5H3 |
| InChIKey | ZDTGWUOVMWQKPA-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C12C(CC3=C(CC2)C=C(C(=C3O)OC)C(C)C)(CCCC1(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872775 |