| SpectraBase Compound ID | 5NYD8qZwmdk |
|---|---|
| InChI | InChI=1S/C7H12N2O3/c1-12-7(11)9-5-3-2-4-8-6(5)10/h5H,2-4H2,1H3,(H,8,10)(H,9,11) |
| InChIKey | ABWZBGBYFWPBTF-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C7H12N2O3 |
| Exact Mass | 172.084792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BKZC7M9kIL7 |
|---|---|
| Name | Methyl (2-oxopiperidin-3-yl)carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.084792251 u |
| Formula | C7H12N2O3 |
| InChI | InChI=1S/C7H12N2O3/c1-12-7(11)9-5-3-2-4-8-6(5)10/h5H,2-4H2,1H3,(H,8,10)(H,9,11) |
| InChIKey | ABWZBGBYFWPBTF-UHFFFAOYSA-N |
| Molecular Weight | 172.184 g/mol |
| SMILES | C1(C(NCCC1)=O)NC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859132 |