| SpectraBase Compound ID | J2YwDORXsOR |
|---|---|
| InChI | InChI=1S/C19H20O4/c20-18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2 |
| InChIKey | UMNVFYKZOXQOLL-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfjWTjLL6JG |
|---|---|
| Name | 1,5-Pentanediol dibenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c20-18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2 |
| InChIKey | UMNVFYKZOXQOLL-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(OCCCCCOC(=O)C=1C=CC=CC1)(=O)C=1C=CC=CC1 |