| SpectraBase Compound ID | gppPpUyM0N |
|---|---|
| InChI | InChI=1S/C14H8Br2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H |
| InChIKey | IUILGHBUWUXVBP-UHFFFAOYSA-N |
| Mol Weight | 384.02 g/mol |
| Molecular Formula | C14H8Br2O3 |
| Exact Mass | 381.88402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fh7Qpd82yMJ |
|---|---|
| Name | 4-Bromobenzoic acid, anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.884020115 u |
| Formula | C14H8Br2O3 |
| InChI | InChI=1S/C14H8Br2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H |
| InChIKey | IUILGHBUWUXVBP-UHFFFAOYSA-N |
| Molecular Weight | 384.023 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)C(OC(C=1C=CC(=CC1)Br)=O)=O |