| SpectraBase Compound ID | BzdDVCnMAxk |
|---|---|
| InChI | InChI=1S/C4H9NO3/c1-4(2,6)3-5(7)8/h6H,3H2,1-2H3 |
| InChIKey | FOOMQHQMUGNBKK-UHFFFAOYSA-N |
| Mol Weight | 119.12 g/mol |
| Molecular Formula | C4H9NO3 |
| Exact Mass | 119.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EzMMrTzNkCs |
|---|---|
| Name | 2-Nitro-tertiary butanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 119.058243151 u |
| Formula | C4H9NO3 |
| InChI | InChI=1S/C4H9NO3/c1-4(2,6)3-5(7)8/h6H,3H2,1-2H3 |
| InChIKey | FOOMQHQMUGNBKK-UHFFFAOYSA-N |
| Molecular Weight | 119.120 g/mol |
| SMILES | C(N(=O)=O)C(C)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944131 |