| SpectraBase Compound ID | CRQqAbagoTb |
|---|---|
| InChI | InChI=1S/C7H11NO4/c1-5(9)12-6-3-8(4-6)7(10)11-2/h6H,3-4H2,1-2H3 |
| InChIKey | JVSIJJSLCQHHMW-UHFFFAOYSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C7H11NO4 |
| Exact Mass | 173.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3pDt9X5c9jz |
|---|---|
| Name | 3-Acetoxyazetidine-1-carboxylic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.068807834 u |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c1-5(9)12-6-3-8(4-6)7(10)11-2/h6H,3-4H2,1-2H3 |
| InChIKey | JVSIJJSLCQHHMW-UHFFFAOYSA-N |
| Molecular Weight | 173.168 g/mol |
| SMILES | C(=O)(N1CC(C1)OC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964182 |