| SpectraBase Compound ID | 1qnIn1P3Xmv |
|---|---|
| InChI | InChI=1S/C10H18O/c1-7(2)9-5-8(6-11)10(9,3)4/h8,11H,5-6H2,1-4H3/t8-/m0/s1 |
| InChIKey | QFTXQVXOZUNRNH-QMMMGPOBSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GtuUgePMA8E |
|---|---|
| Name | (S)-(+)-maconelliol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-7(2)9-5-8(6-11)10(9,3)4/h8,11H,5-6H2,1-4H3/t8-/m0/s1 |
| InChIKey | QFTXQVXOZUNRNH-QMMMGPOBSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | C1(C(C)(C)[C@@](C1)(CO)[H])=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926659 |