| SpectraBase Compound ID | 6Loh85g8wxx |
|---|---|
| InChI | 1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10) |
| InChIKey | SMZKPZXYDDZDJG-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C7H12N2O2 |
| Exact Mass | 156.089878 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4QDuzU1bubF |
|---|---|
| Name | N-(Tert-butoxycarbonyl)-2-aminoacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.089877632 u |
| Formula | C7H12N2O2 |
| InChI | InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10) |
| InChIKey | SMZKPZXYDDZDJG-UHFFFAOYSA-N |
| Molecular Weight | 156.185 g/mol |
| SMILES | C(OC(C)(C)C)(=O)NCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.970043 |