![Biphenyl-2,2'-dicarboxylic acid bis-[(1R-hydroxymethylpropyl)amide]](/api/spectrum/9XSr1MWlY3T/structure.png?h=300&w=458 "Biphenyl-2,2'-dicarboxylic acid bis-[(1R-hydroxymethylpropyl)amide]")
| SpectraBase Compound ID | IloP9TtzTPG |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-3-15(13-25)23-21(27)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22(28)24-16(4-2)14-26/h5-12,15-16,25-26H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28)/t15-,16?/m0/s1 |
| InChIKey | ILEVUMXDJSVJRG-VYRBHSGPSA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XSr1MWlY3T |
|---|---|
| Name | Biphenyl-2,2'-dicarboxylic acid bis-[(1R-hydroxymethylpropyl)amide] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.204907386 u |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-3-15(13-25)23-21(27)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22(28)24-16(4-2)14-26/h5-12,15-16,25-26H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28)/t15-,16?/m0/s1 |
| InChIKey | ILEVUMXDJSVJRG-VYRBHSGPSA-N |
| Molecular Weight | 384.476 g/mol |
| SMILES | C(C=1C(C=2C(C(NC(CO)CC)=O)=CC=CC2)=CC=CC1)(N[C@](CO)(CC)[H])=O |