![4-[4-(2-Carboxybenzoyl)phenyl]butyric acid](/api/spectrum/BvPiUwL3S8D/structure.png?h=300&w=458 "4-[4-(2-Carboxybenzoyl)phenyl]butyric acid")
| SpectraBase Compound ID | DkUmnqM4nDP |
|---|---|
| InChI | InChI=1S/C18H16O5/c19-16(20)7-3-4-12-8-10-13(11-9-12)17(21)14-5-1-2-6-15(14)18(22)23/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)(H,22,23) |
| InChIKey | PBCSZTCIOAKNOF-UHFFFAOYSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | BvPiUwL3S8D |
|---|---|
| Name | 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 192813 |
| CAS Registry Number | 80866-86-0 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c19-16(20)7-3-4-12-8-10-13(11-9-12)17(21)14-5-1-2-6-15(14)18(22)23/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)(H,22,23) |
| InChIKey | PBCSZTCIOAKNOF-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_002626 |