| SpectraBase Compound ID | Ibfvkm6OQiC |
|---|---|
| InChI | InChI=1S/C8H13ClO2/c1-6(9)5-8(2,3)7(10)11-4/h1,5H2,2-4H3 |
| InChIKey | NMIYZQVNXZOOPF-UHFFFAOYSA-N |
| Mol Weight | 176.64 g/mol |
| Molecular Formula | C8H13ClO2 |
| Exact Mass | 176.060407 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3iMb09wXAeq |
|---|---|
| Name | Methyl 4-chloro-2,2-dimethyl-4-pentenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.060407357 u |
| Formula | C8H13ClO2 |
| InChI | InChI=1S/C8H13ClO2/c1-6(9)5-8(2,3)7(10)11-4/h1,5H2,2-4H3 |
| InChIKey | NMIYZQVNXZOOPF-UHFFFAOYSA-N |
| Molecular Weight | 176.643 g/mol |
| SMILES | C(Cl)(CC(C(=O)OC)(C)C)=C |
| Spectrum/Structure Validation Score (Raman) | 0.82804 |