| SpectraBase Compound ID | 5hfBfRXlNj7 |
|---|---|
| InChI | InChI=1S/C12H16O/c1-8-3-4-9(2)11(7-8)12(13)10-5-6-10/h3-4,7,10,12-13H,5-6H2,1-2H3 |
| InChIKey | XNVLDOQNXQCBPD-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K6wwGeU002z |
|---|---|
| Name | alpha-Cyclopropyl-2,5-dimethylbenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-8-3-4-9(2)11(7-8)12(13)10-5-6-10/h3-4,7,10,12-13H,5-6H2,1-2H3 |
| InChIKey | XNVLDOQNXQCBPD-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | OC(C1=CC(=CC=C1C)C)C1CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.854948 |