| SpectraBase Compound ID | 29AaGYyUTSC |
|---|---|
| InChI | InChI=1S/C9H17NO3/c1-5(2)9(6(3)4,7(10)11)8(12)13/h5-6H,1-4H3,(H2,10,11)(H,12,13) |
| InChIKey | BQOUKOFSUDJODA-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C9H17NO3 |
| Exact Mass | 187.120843 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BUJppb408NZ |
|---|---|
| Name | 2,2-Diisopropylmalonamic acid |
| 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/c1-5(2)9(6(3)4,7(10)11)8(12)13/h5-6H,1-4H3,(H2,10,11)(H,12,13) |
| InChIKey | BQOUKOFSUDJODA-UHFFFAOYSA-N |
| SMILES | NC(C(C(O)=O)(C(C)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.980805 |