| SpectraBase Compound ID | LX1zUWKgsPI |
|---|---|
| InChI | InChI=1S/C8H13NO3/c10-8(6-9(11)12)5-7-3-1-2-4-7/h1,3,7-8,10H,2,4-6H2 |
| InChIKey | UISMXKGTIKCAHY-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5OswbHwB7Ud |
|---|---|
| Name | 2-Cyclopentene-1-ethanol, .alpha.-(nitromethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.089543280 u |
| Formula | C8H13NO3 |
| InChI | InChI=1S/C8H13NO3/c10-8(6-9(11)12)5-7-3-1-2-4-7/h1,3,7-8,10H,2,4-6H2 |
| InChIKey | UISMXKGTIKCAHY-UHFFFAOYSA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | C(N(=O)=O)C(CC1C=CCC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853404 |