![(1S,5S,6E,8S,12R)-8,12-dimethyl-2-methylidene-8-oxidanyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-6-en-10-one](/api/spectrum/K2WuqWZwZss/structure.png?h=300&w=458 "(1S,5S,6E,8S,12R)-8,12-dimethyl-2-methylidene-8-oxidanyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-6-en-10-one")
| SpectraBase Compound ID | 31C1vg4dVQn |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-14(2)16-7-6-15(3)18-9-11-20(5,23-18)13-17(21)12-19(4,22)10-8-16/h8,10,14,16,18,22H,3,6-7,9,11-13H2,1-2,4-5H3/b10-8+/t16-,18+,19-,20-/m1/s1 |
| InChIKey | AWEQBHZSWLHAGK-LWMNRSPGSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K2WuqWZwZss |
|---|---|
| Name | (1S,5S,6E,8S,12R)-8,12-Dimethyl-2-methylidene-8-oxidanyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-6-en-10-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-14(2)16-7-6-15(3)18-9-11-20(5,23-18)13-17(21)12-19(4,22)10-8-16/h8,10,14,16,18,22H,3,6-7,9,11-13H2,1-2,4-5H3/b10-8+/t16-,18+,19-,20-/m1/s1 |
| InChIKey | AWEQBHZSWLHAGK-LWMNRSPGSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | [C@]12(O[C@](C(CC[C@](\C=C\[C@](CC(C2)=O)(O)C)(C(C)C)[H])=C)(CC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84566 |