| SpectraBase Compound ID | 5XBDLuZzq0E |
|---|---|
| InChI | InChI=1S/C7H10ClNO/c8-6-7(10)9-4-2-1-3-5-9/h1-2H,3-6H2 |
| InChIKey | JRMADOCZUFEIQK-UHFFFAOYSA-N |
| Mol Weight | 159.62 g/mol |
| Molecular Formula | C7H10ClNO |
| Exact Mass | 159.045092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I1wORKrNITQ |
|---|---|
| Name | Pyridine, 1-(chloroacetyl)-1,2,3,6-tetrahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.045091645 u |
| Formula | C7H10ClNO |
| InChI | InChI=1S/C7H10ClNO/c8-6-7(10)9-4-2-1-3-5-9/h1-2H,3-6H2 |
| InChIKey | JRMADOCZUFEIQK-UHFFFAOYSA-N |
| Molecular Weight | 159.616 g/mol |
| SMILES | C1CN(CC=C1)C(CCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940536 |