| SpectraBase Compound ID | Log4VQ12FvO |
|---|---|
| InChI | InChI=1S/C16H34/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | AHCQADSOCBSROH-UHFFFAOYSA-N |
| Mol Weight | 226.4 g/mol |
| Molecular Formula | C16H34 |
| Exact Mass | 226.266051 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GTdvG85lyVN |
|---|---|
| Name | Decane, 5,6-dipropyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.266051095 u |
| Formula | C16H34 |
| InChI | InChI=1S/C16H34/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | AHCQADSOCBSROH-UHFFFAOYSA-N |
| Molecular Weight | 226.448 g/mol |
| SMILES | C(CC(CCCC)C(CCCC)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942237 |