| SpectraBase Compound ID | CB3k5yYE8Zx |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-2-5-11-8-3-4-9-10(6-8)13-7-12-9/h2-4,6H,1,5,7H2 |
| InChIKey | LALKONKNNIUATM-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DACMRODBBRF |
|---|---|
| Name | 1-(Prop-2-ynyloxy)-3,4-methylenedioxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-2-5-11-8-3-4-9-10(6-8)13-7-12-9/h2-4,6H,1,5,7H2 |
| InChIKey | LALKONKNNIUATM-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1=CC(=CC2=C1OCO2)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908284 |