| SpectraBase Compound ID | 4vZuVIZeG5F |
|---|---|
| InChI | InChI=1S/C13H12O3/c1-9(14)16-13-8-11(15-2)7-10-5-3-4-6-12(10)13/h3-8H,1-2H3 |
| InChIKey | VZCWLHBAMOETIS-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LxHLVgq1RL0 |
|---|---|
| Name | 3-Methoxy-1-naphthyl-acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.078644243 u |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c1-9(14)16-13-8-11(15-2)7-10-5-3-4-6-12(10)13/h3-8H,1-2H3 |
| InChIKey | VZCWLHBAMOETIS-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | C1(OC(=O)C)=CC(OC)=CC2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900762 |