| SpectraBase Compound ID | HA7IXRxUk1V |
|---|---|
| InChI | InChI=1S/C11H18O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h7,9H,1-6,8,10H2/b9-7- |
| InChIKey | HLIUWXDTNGKNBX-CLFYSBASSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8pj08dTvPuD |
|---|---|
| Name | (3Z)-1-Oxacyclododec-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h7,9H,1-6,8,10H2/b9-7- |
| InChIKey | HLIUWXDTNGKNBX-CLFYSBASSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(OCCCCCCCC\C=C/1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981755 |