| SpectraBase Compound ID | 2dxVQSUd3gu |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-2-6-14-11(13)10-5-3-4-9(7-10)8-12/h3-5,7-8H,2,6H2,1H3 |
| InChIKey | OSSGSHMVGWQXBG-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7y5EOs8SdjS |
|---|---|
| Name | Propyl 3-formylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-2-6-14-11(13)10-5-3-4-9(7-10)8-12/h3-5,7-8H,2,6H2,1H3 |
| InChIKey | OSSGSHMVGWQXBG-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C(C=1C=C(C=O)C=CC1)(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934511 |