| SpectraBase Compound ID | 2GCKSve2UKW |
|---|---|
| InChI | InChI=1S/C15H22O/c1-9-8-10-12-13(16)11(9)15(12,4)7-5-6-14(10,2)3/h8,10-12H,5-7H2,1-4H3/t10-,11+,12-,15+/m1/s1 |
| InChIKey | KKQDNHZABGRCAS-ZAZJYDDPSA-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 | BuF9Dnshv0f |
|---|---|
| Name | Vulgarone |
| 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/c1-9-8-10-12-13(16)11(9)15(12,4)7-5-6-14(10,2)3/h8,10-12H,5-7H2,1-4H3/t10-,11+,12-,15+/m1/s1 |
| InChIKey | KKQDNHZABGRCAS-ZAZJYDDPSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | [C@]12([C@@]3([C@](C2=O)(C(C)=C[C@]1(C(CCC3)(C)C)[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837727 |