| SpectraBase Compound ID | G8AYmQS2jIv |
|---|---|
| InChI | InChI=1S/C15H28/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3 |
| InChIKey | KNCBSUAJHPYRCQ-UHFFFAOYSA-N |
| Mol Weight | 208.39 g/mol |
| Molecular Formula | C15H28 |
| Exact Mass | 208.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 39iAHXKTuz0 |
|---|---|
| Name | Bergamotane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.219100902 u |
| Formula | C15H28 |
| InChI | InChI=1S/C15H28/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3 |
| InChIKey | KNCBSUAJHPYRCQ-UHFFFAOYSA-N |
| Molecular Weight | 208.389 g/mol |
| SMILES | C1(C2C(C)CCC1C2)(CCCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940138 |