| SpectraBase Compound ID | GuE9LIAq4ri |
|---|---|
| InChI | InChI=1S/C12H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7-8,12H,2-6,9-11H2,1H3 |
| InChIKey | RLBZRFYMSFZBRA-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FIc4eyVqOpd |
|---|---|
| Name | (+-)-2-heptyl-3,6-dihydro-2H-pyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7-8,12H,2-6,9-11H2,1H3 |
| InChIKey | RLBZRFYMSFZBRA-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1(OCC=CC1)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945291 |