| SpectraBase Compound ID | EU9A4r3kWZl |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-5-7-8-10(4)13-11(12)9(3)6-2/h6,10H,5,7-8H2,1-4H3/b9-6- |
| InChIKey | PLFAXMZOTWDECF-TWGQIWQCSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Z0rDLTtxJW |
|---|---|
| Name | Hexyl angelate, 2- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-5-7-8-10(4)13-11(12)9(3)6-2/h6,10H,5,7-8H2,1-4H3/b9-6- |
| InChIKey | PLFAXMZOTWDECF-TWGQIWQCSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C\C=C/(C(=O)OC(CCCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834389 |