| SpectraBase Compound ID | EIWLP5Y7DCV |
|---|---|
| InChI | InChI=1S/C12H14O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h5-8H,1-4,9H2 |
| InChIKey | ISRJXCYJXRFTEB-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7mpfTvig6g7 |
|---|---|
| Name | 5-(1,3-Benzodioxol-5-yl)pentanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h5-8H,1-4,9H2 |
| InChIKey | ISRJXCYJXRFTEB-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C=12C(OCO2)=CC=C(C1)CCCCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914632 |