| SpectraBase Compound ID | DMGEk9cC8fl |
|---|---|
| InChI | InChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3 |
| InChIKey | ZGKPBXWQOYDEMA-UHFFFAOYSA-N |
| Mol Weight | 204.36 g/mol |
| Molecular Formula | C15H24 |
| Exact Mass | 204.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 43NfIDKSVei |
|---|---|
| Name | Petasitene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.187800773 u |
| Formula | C15H24 |
| InChI | InChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3 |
| InChIKey | ZGKPBXWQOYDEMA-UHFFFAOYSA-N |
| Molecular Weight | 204.357 g/mol |
| SMILES | C1C=C(C(C)C)C2(C1(C1CC2CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866387 |