![2-[3-(4-Chlorophenyl)propyl]oxirane](/api/spectrum/JNqB5KAUFKY/structure.png?h=300&w=458 "2-[3-(4-Chlorophenyl)propyl]oxirane")
| SpectraBase Compound ID | 4Zai00p0zE2 |
|---|---|
| InChI | InChI=1S/C11H13ClO/c12-10-6-4-9(5-7-10)2-1-3-11-8-13-11/h4-7,11H,1-3,8H2 |
| InChIKey | RSJRWLJXKDUXDZ-UHFFFAOYSA-N |
| Mol Weight | 196.68 g/mol |
| Molecular Formula | C11H13ClO |
| Exact Mass | 196.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JNqB5KAUFKY |
|---|---|
| Name | 2-[3-(4-Chlorophenyl)propyl]oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.065492738 u |
| Formula | C11H13ClO |
| InChI | InChI=1S/C11H13ClO/c12-10-6-4-9(5-7-10)2-1-3-11-8-13-11/h4-7,11H,1-3,8H2 |
| InChIKey | RSJRWLJXKDUXDZ-UHFFFAOYSA-N |
| Molecular Weight | 196.677 g/mol |
| SMILES | C1OC1CCCC=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90346 |