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 |
SpectraBase Spectrum ID | IGRvukwT5F3 |
---|---|
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 | 1H |
Purity | 98% |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_002595 |