| SpectraBase Compound ID | K6fJA9ri8xg |
|---|---|
| InChI | InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | GWESVXSMPKAFAS-UHFFFAOYSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HvNNwkwlp2J |
|---|---|
| Name | Isopropylcyclohexane |
| 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/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | GWESVXSMPKAFAS-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C1C(CCCC1)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.992505 |