| SpectraBase Compound ID | 53GrS7HACkK |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-12(11-7-3-2-4-8-11)13-9-5-6-10-14-12/h2-4,7-8H,5-6,9-10H2,1H3 |
| InChIKey | CPFRGQXSZHFHPU-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KJpDc950Hxr |
|---|---|
| Name | 2-Methyl-2-phenyl-1,3-dioxepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-12(11-7-3-2-4-8-11)13-9-5-6-10-14-12/h2-4,7-8H,5-6,9-10H2,1H3 |
| InChIKey | CPFRGQXSZHFHPU-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1(OCCCCO1)(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9693 |