| SpectraBase Compound ID | 29SgB4Bsm45 |
|---|---|
| InChI | InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3 |
| InChIKey | PERIHWAPLOBAJM-UHFFFAOYSA-N |
| Mol Weight | 184.32 g/mol |
| Molecular Formula | C12H24O |
| Exact Mass | 184.182715 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 94LFa1hxiCG |
|---|---|
| Name | 3-Dodecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.182715392 u |
| Formula | C12H24O |
| InChI | InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3 |
| InChIKey | PERIHWAPLOBAJM-UHFFFAOYSA-N |
| Molecular Weight | 184.323 g/mol |
| SMILES | C(CC)CCCCCCC(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.993271 |