| SpectraBase Compound ID | 8KLcXBOwva9 |
|---|---|
| InChI | InChI=1S/C7H11NO3/c1-7(2,3)11-6(9)10-5-4-8/h5H2,1-3H3 |
| InChIKey | PNGGROPHMDADFT-UHFFFAOYSA-N |
| Mol Weight | 157.17 g/mol |
| Molecular Formula | C7H11NO3 |
| Exact Mass | 157.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7NwebsEDpub |
|---|---|
| Name | T-Butyl (cyanomethyl)-carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.073893215 u |
| Formula | C7H11NO3 |
| InChI | InChI=1S/C7H11NO3/c1-7(2,3)11-6(9)10-5-4-8/h5H2,1-3H3 |
| InChIKey | PNGGROPHMDADFT-UHFFFAOYSA-N |
| Molecular Weight | 157.169 g/mol |
| SMILES | C(OCC#N)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957111 |