| SpectraBase Compound ID | 1DWe5HxRdGC |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12-14(15)16-13(2)3/h13H,4-8,11-12H2,1-3H3 |
| InChIKey | BOWSXUBLQLLDEC-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JwLeRapnAsd |
|---|---|
| Name | 1-Isopropyl-2-nonynylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12-14(15)16-13(2)3/h13H,4-8,11-12H2,1-3H3 |
| InChIKey | BOWSXUBLQLLDEC-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C(#CCCCCCC)CCC(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96616 |