| SpectraBase Compound ID | L3SteiI4IeX |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-12(14-3,9-10-13-2)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | RNADWTOOLFSCNV-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2OTNJRqo2P9 |
|---|---|
| Name | 1,3-Dimethoxy-3-phenylpropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-12(14-3,9-10-13-2)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | RNADWTOOLFSCNV-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C(C1=CC=CC=C1)(CCOC)(OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888702 |