| SpectraBase Compound ID | LTQKVpczwEJ |
|---|---|
| InChI | InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h5,9H,2,4,6-8H2,1,3H3 |
| InChIKey | XWJMQJGSSGDJSY-UHFFFAOYSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F33U9UZoQKL |
|---|---|
| Name | 1-Octene, 4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.140850580 u |
| Formula | C9H18 |
| InChI | InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h5,9H,2,4,6-8H2,1,3H3 |
| InChIKey | XWJMQJGSSGDJSY-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C=CCC(CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91967 |