| SpectraBase Compound ID | A6VSocwXeFo |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-2-3-7-15-12(14)11-6-4-5-10(8-11)9-13/h4-6,8-9H,2-3,7H2,1H3 |
| InChIKey | NSJKJBZJUDVMJP-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 | 8abrqO0eMJt |
|---|---|
| Name | Butyl 3-formylbenzoate |
| 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/c1-2-3-7-15-12(14)11-6-4-5-10(8-11)9-13/h4-6,8-9H,2-3,7H2,1H3 |
| InChIKey | NSJKJBZJUDVMJP-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(C=1C=C(C=O)C=CC1)(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934856 |