| SpectraBase Compound ID | D5D5AXt1ERx |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3 |
| InChIKey | VMTZKGPXYYJUAR-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1dYLHvIIq3o |
|---|---|
| Name | 1(3H)-Isobenzofuranone, 3-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.068079560 u |
| Formula | C10H10O2 |
| InChI | InChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3 |
| InChIKey | VMTZKGPXYYJUAR-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C1(OC(CC)C2=C1C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885322 |