| SpectraBase Compound ID | 4KIzK9E8XoS |
|---|---|
| InChI | InChI=1S/C9H17NO3/c1-6(11)10-7(8(12)13-5)9(2,3)4/h7H,1-5H3,(H,10,11) |
| InChIKey | MNKLWOGVQOMQHS-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C9H17NO3 |
| Exact Mass | 187.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KuyZJKDUZ15 |
|---|---|
| Name | Methyl 2-acetamido-3,3-dimethylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.120843408 u |
| Formula | C9H17NO3 |
| InChI | InChI=1S/C9H17NO3/c1-6(11)10-7(8(12)13-5)9(2,3)4/h7H,1-5H3,(H,10,11) |
| InChIKey | MNKLWOGVQOMQHS-UHFFFAOYSA-N |
| Molecular Weight | 187.239 g/mol |
| SMILES | C(NC(=O)C)(C(C)(C)C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905523 |