| SpectraBase Compound ID | DyIiDiLFMry |
|---|---|
| InChI | InChI=1S/C22H38O3/c1-8-16(2)17(23)14-19-21(5)12-9-11-20(3,4)18(21)10-13-22(19,6)25-15-24-7/h8,16,18-19H,1,9-15H2,2-7H3/t16-,18?,19+,21-,22+/m0/s1 |
| InChIKey | KGNHSSDZSIJQCD-QUQREYOPSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C22H38O3 |
| Exact Mass | 350.282095 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AzkeOpQvETL |
|---|---|
| Name | 8.alpha.-(Methoxymethoxy)-13-methyl-labd-14-en-12-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.282095081 u |
| Formula | C22H38O3 |
| InChI | InChI=1S/C22H38O3/c1-8-16(2)17(23)14-19-21(5)12-9-11-20(3,4)18(21)10-13-22(19,6)25-15-24-7/h8,16,18-19H,1,9-15H2,2-7H3/t16-,18?,19+,21-,22+/m0/s1 |
| InChIKey | KGNHSSDZSIJQCD-QUQREYOPSA-N |
| Molecular Weight | 350.543 g/mol |
| SMILES | [C@@]12([C@@](CC(=O)[C@](C=C)(C)[H])([C@@](OCOC)(C)CCC2C(C)(C)CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974262 |