| SpectraBase Compound ID | A1cUMzoabTO |
|---|---|
| InChI | InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6-/t14-,15-/m1/s1 |
| InChIKey | RHCTXHCNRLCYBN-IUIKDZDGSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7UaRDXqZZdg |
|---|---|
| Name | 1(10)E,5E-Germacradien-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6-/t14-,15-/m1/s1 |
| InChIKey | RHCTXHCNRLCYBN-IUIKDZDGSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | [C@@]1(\C=C\[C@@](CC\C(=C/CC1)C)(C(C)C)[H])(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863324 |