| SpectraBase Compound ID | DU2UZVdhDAd |
|---|---|
| InChI | InChI=1S/C14H19BrO2/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3 |
| InChIKey | FQVRNUKPTIDJFN-UHFFFAOYSA-N |
| Mol Weight | 299.21 g/mol |
| Molecular Formula | C14H19BrO2 |
| Exact Mass | 298.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7VmbXoOOQ26 |
|---|---|
| Name | 4-Bromobenzoic acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.056842850 u |
| Formula | C14H19BrO2 |
| InChI | InChI=1S/C14H19BrO2/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3 |
| InChIKey | FQVRNUKPTIDJFN-UHFFFAOYSA-N |
| SMILES | C1=CC(C(OCCCCCCC)=O)=CC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907084 |