| SpectraBase Compound ID | 2ijV94f7AUP |
|---|---|
| InChI | InChI=1S/C8H16O/c1-7(6-9)5-8(2,3)4/h6-7H,5H2,1-4H3 |
| InChIKey | PJLOOIXLBYOPHW-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FpVemD6VBM8 |
|---|---|
| Name | Pentanal, 2,4,4-trimethyl-,; valeraldehyde, 2,4,4-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-7(6-9)5-8(2,3)4/h6-7H,5H2,1-4H3 |
| InChIKey | PJLOOIXLBYOPHW-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C(CC(C=O)C)(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.942401 |