| SpectraBase Compound ID | 8PxOrqyG277 |
|---|---|
| InChI | InChI=1S/C12H15ClO/c1-2-3-8-12(9-14-12)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | WCAUPTAFFJXJPN-UHFFFAOYSA-N |
| Mol Weight | 210.7 g/mol |
| Molecular Formula | C12H15ClO |
| Exact Mass | 210.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | o4xeJutPJK |
|---|---|
| Name | 2-Butyl-2-(4-chlorophenyl)oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.081142802 u |
| Formula | C12H15ClO |
| InChI | InChI=1S/C12H15ClO/c1-2-3-8-12(9-14-12)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | WCAUPTAFFJXJPN-UHFFFAOYSA-N |
| Molecular Weight | 210.704 g/mol |
| SMILES | C1(OC1)(C1=CC=C(C=C1)Cl)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853743 |