| SpectraBase Compound ID | 22rMKdvN8iP |
|---|---|
| InChI | InChI=1S/C7H14O2/c8-6-4-2-1-3-5-7(6)9/h6-9H,1-5H2/t6-,7-/m1/s1 InChI=1S/C7H14O2/c8-6-4-2-1-3-5-7(6)9/h6-9H,1-5H2/t6-,7-/m0/s1 |
| InChIKey | DCYPPXGEIQTVPI-RNFRBKRXSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KDhJ5Wcwu4A |
|---|---|
| Name | Trans-1,2-cycloheptanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c8-6-4-2-1-3-5-7(6)9/h6-9H,1-5H2/t6-,7-/m1/s1 |
| InChIKey | DCYPPXGEIQTVPI-RNFRBKRXSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | O[C@]1([C@@](CCCCC1)(O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.981247 |