| SpectraBase Compound ID | EKDRp98bhA3 |
|---|---|
| InChI | InChI=1S/C15H24O3/c1-10-5-4-6-12(13(16)17)15(10)8-7-11(9-15)14(2,3)18/h6,10-11,18H,4-5,7-9H2,1-3H3,(H,16,17) |
| InChIKey | WHUDNFJAKJGKBT-UHFFFAOYSA-N |
| Mol Weight | 252.35 g/mol |
| Molecular Formula | C15H24O3 |
| Exact Mass | 252.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FmCubI3NsWK |
|---|---|
| Name | Baimuxinic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.172544630 u |
| Formula | C15H24O3 |
| InChI | InChI=1S/C15H24O3/c1-10-5-4-6-12(13(16)17)15(10)8-7-11(9-15)14(2,3)18/h6,10-11,18H,4-5,7-9H2,1-3H3,(H,16,17) |
| InChIKey | WHUDNFJAKJGKBT-UHFFFAOYSA-N |
| Molecular Weight | 252.354 g/mol |
| SMILES | C1C(CCC11C(=CCCC1C)C(=O)O)C(C)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895213 |