| SpectraBase Compound ID | 7pOCBuv8J25 |
|---|---|
| InChI | InChI=1S/C18H36/c1-4-7-9-10-11-16-13-14-17(6-3)18(15-16)12-8-5-2/h16-18H,4-15H2,1-3H3 |
| InChIKey | FTYRSEPPDYCBOE-UHFFFAOYSA-N |
| Mol Weight | 252.5 g/mol |
| Molecular Formula | C18H36 |
| Exact Mass | 252.281701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KKFMSMGyjOV |
|---|---|
| Name | 2-Butyl-1-ethyl-4-hexyl-cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.281701159 u |
| Formula | C18H36 |
| InChI | InChI=1S/C18H36/c1-4-7-9-10-11-16-13-14-17(6-3)18(15-16)12-8-5-2/h16-18H,4-15H2,1-3H3 |
| InChIKey | FTYRSEPPDYCBOE-UHFFFAOYSA-N |
| Molecular Weight | 252.486 g/mol |
| SMILES | C(CCC1CC(CCCCCC)CCC1CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928462 |