| SpectraBase Compound ID | 2RVdJL0dOkO |
|---|---|
| InChI | InChI=1S/C15H22O/c1-13(2)7-5-6-11-14(3,4)10-8-12(16)15(11,13)9-10/h6,10H,5,7-9H2,1-4H3 |
| InChIKey | HJIXDFZKWWWXSC-UHFFFAOYSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Qfgn0iAlpb |
|---|---|
| Name | Isolongifolen, 5-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-13(2)7-5-6-11-14(3,4)10-8-12(16)15(11,13)9-10/h6,10H,5,7-9H2,1-4H3 |
| InChIKey | HJIXDFZKWWWXSC-UHFFFAOYSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C1(C=2C3(C(CC1C3)=O)C(C)(C)CCC2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919449 |