| SpectraBase Compound ID | 5J18UsfOxNW |
|---|---|
| InChI | InChI=1S/C13H28O/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h14H,4-12H2,1-3H3 |
| InChIKey | RWKMYNWNESNJQQ-UHFFFAOYSA-N |
| Mol Weight | 200.37 g/mol |
| Molecular Formula | C13H28O |
| Exact Mass | 200.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ElrwtpJ8UGU |
|---|---|
| Name | 5-Nonanol, 5-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.214015521 u |
| Formula | C13H28O |
| InChI | InChI=1S/C13H28O/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h14H,4-12H2,1-3H3 |
| InChIKey | RWKMYNWNESNJQQ-UHFFFAOYSA-N |
| Molecular Weight | 200.366 g/mol |
| SMILES | C(C(CCCC)(CCCC)O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914405 |