| SpectraBase Compound ID | 1YXmDiQ4r7w |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-16-8-6-10-18(14-16)20(22)24-12-4-3-5-13-25-21(23)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3 |
| InChIKey | XWJHNCMUQLLDSH-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30ZYFhdjKjS |
|---|---|
| Name | 1,5-Pentanediol, o,o'-di(3-methylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-16-8-6-10-18(14-16)20(22)24-12-4-3-5-13-25-21(23)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3 |
| InChIKey | XWJHNCMUQLLDSH-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(C1=CC(=CC=C1)C)(OCCCCCOC(=O)C1=CC(C)=CC=C1)=O |