| SpectraBase Compound ID | 2iwfMV1PRPY |
|---|---|
| InChI | InChI=1S/C9H15NO3/c1-4-13-8(11)7-5-9(2,3)10(12)6-7/h6-7H,4-5H2,1-3H3 |
| InChIKey | ZFTFDODZTSYVAK-UHFFFAOYSA-N |
| Mol Weight | 185.22 g/mol |
| Molecular Formula | C9H15NO3 |
| Exact Mass | 185.105193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8KiePcFNNXq |
|---|---|
| Name | 3-Ethoxycarbonyl-5,5-dimethyl-1-pyrroline, 1-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.105193344 u |
| Formula | C9H15NO3 |
| InChI | InChI=1S/C9H15NO3/c1-4-13-8(11)7-5-9(2,3)10(12)6-7/h6-7H,4-5H2,1-3H3 |
| InChIKey | ZFTFDODZTSYVAK-UHFFFAOYSA-N |
| Molecular Weight | 185.223 g/mol |
| SMILES | C1C(N(=O)=CC1C(OCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964416 |