| SpectraBase Compound ID | DsI5tXu7ocW |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15,21-22H,5-7,9-10H2,1-4H3 |
| InChIKey | XCVWKCGUFCXDHN-UHFFFAOYSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E94N2tk9ARE |
|---|---|
| Name | (-)-20-deoxocarnosol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15,21-22H,5-7,9-10H2,1-4H3 |
| InChIKey | XCVWKCGUFCXDHN-UHFFFAOYSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | C(C1=CC=2C3CC4C(C2C(=C1O)O)(CCCC4(C)C)CO3)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802191 |