| SpectraBase Compound ID | AFP0Rsw9zLm |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-2-17(19)18(16-11-7-4-8-12-16)21-14-20-13-15-9-5-3-6-10-15/h2-12,18H,1,13-14H2 |
| InChIKey | JAYOUYOHWMRKEE-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | QYgBD2S7f3 |
|---|---|
| Name | 4-Benzyloxymethoxy-4-phenylbut-1-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-2-17(19)18(16-11-7-4-8-12-16)21-14-20-13-15-9-5-3-6-10-15/h2-12,18H,1,13-14H2 |
| InChIKey | JAYOUYOHWMRKEE-UHFFFAOYSA-N |
| SMILES | C=CC(C(C=1C=CC=CC1)OCOCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845018 |