| SpectraBase Compound ID | GraUlKP5P2k |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-19-16-7-3-13(4-8-16)11-15(18)12-14-5-9-17(20-2)10-6-14/h3-10H,11-12H2,1-2H3 |
| InChIKey | CDAXBXJOPWBMAB-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ExWYgmZUJbb |
|---|---|
| Name | 1,3-bis-(4-Methoxyphenyl)-propan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-19-16-7-3-13(4-8-16)11-15(18)12-14-5-9-17(20-2)10-6-14/h3-10H,11-12H2,1-2H3 |
| InChIKey | CDAXBXJOPWBMAB-UHFFFAOYSA-N |
| SMILES | C=1(OC)C=CC(=CC1)CC(=O)CC1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934154 |