| SpectraBase Compound ID | 2XBmsb9Ndm4 |
|---|---|
| InChI | InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h7H,2-6,8H2,1H3 |
| InChIKey | WCPWJMLXSZIWOP-UHFFFAOYSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2TqQfvnTn7X |
|---|---|
| Name | Cyclohexene, 1-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h7H,2-6,8H2,1H3 |
| InChIKey | WCPWJMLXSZIWOP-UHFFFAOYSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C1(=CCCCC1)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.991954 |