![2-[3-(4-Methylphenyl)propyl]oxirane](/api/spectrum/3SOqGt0raA4/structure.png?h=300&w=458 "2-[3-(4-Methylphenyl)propyl]oxirane")
| SpectraBase Compound ID | 7ONN6MKxHVh |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10-5-7-11(8-6-10)3-2-4-12-9-13-12/h5-8,12H,2-4,9H2,1H3 |
| InChIKey | AMVRLICFFUTHGU-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3SOqGt0raA4 |
|---|---|
| Name | 2-[3-(4-Methylphenyl)propyl]oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-10-5-7-11(8-6-10)3-2-4-12-9-13-12/h5-8,12H,2-4,9H2,1H3 |
| InChIKey | AMVRLICFFUTHGU-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1OC1CCCC1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957436 |