| SpectraBase Compound ID | 3qyob6vH4Wx |
|---|---|
| InChI | InChI=1S/C8H14ClNO2/c1-5(11)6(9)7(12)10-8(2,3)4/h6H,1-4H3,(H,10,12) |
| InChIKey | YFOKUBCLWQNPED-UHFFFAOYSA-N |
| Mol Weight | 191.66 g/mol |
| Molecular Formula | C8H14ClNO2 |
| Exact Mass | 191.071306 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | I6YUk3fR9qC |
|---|---|
| Name | N-Tert-butyl-2-chloroacetoacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.071306393 u |
| Formula | C8H14ClNO2 |
| InChI | InChI=1S/C8H14ClNO2/c1-5(11)6(9)7(12)10-8(2,3)4/h6H,1-4H3,(H,10,12) |
| InChIKey | YFOKUBCLWQNPED-UHFFFAOYSA-N |
| Molecular Weight | 191.658 g/mol |
| SMILES | CC(C(C(=O)NC(C)(C)C)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.836146 |