| SpectraBase Compound ID | I6t2OyFDJTF |
|---|---|
| InChI | InChI=1S/C7H9NO4/c1-12-7(11)4-8-5(9)2-3-6(8)10/h2-4H2,1H3 |
| InChIKey | LVOGNTQDHSWJQX-UHFFFAOYSA-N |
| Mol Weight | 171.15 g/mol |
| Molecular Formula | C7H9NO4 |
| Exact Mass | 171.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4G0q3285bJv |
|---|---|
| Name | Acetic acid, succinimido-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.053157770 u |
| Formula | C7H9NO4 |
| InChI | InChI=1S/C7H9NO4/c1-12-7(11)4-8-5(9)2-3-6(8)10/h2-4H2,1H3 |
| InChIKey | LVOGNTQDHSWJQX-UHFFFAOYSA-N |
| SMILES | C1(N(C(=O)CC1)CC(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987476 |