| SpectraBase Compound ID | LmJRh3gxBp3 |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11+,13+,15+/m0/s1 |
| InChIKey | AEQDXSFIHGWHDV-AGNJHWRGSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5muVNAXaGlp |
|---|---|
| Name | Eremophilanolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11+,13+,15+/m0/s1 |
| InChIKey | AEQDXSFIHGWHDV-AGNJHWRGSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C12=C(C(=O)O[C@@]2(C[C@@]2([C@](C1)([C@](CCC2)(C)[H])C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900811 |