| SpectraBase Compound ID | 8jrhybTVX8f |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | LNEMDIUSUQPKIP-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LsM967pSuFv |
|---|---|
| Name | 2-Phenyl-1,3-dioxan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | LNEMDIUSUQPKIP-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1(OCCCO1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964625 |