| SpectraBase Compound ID | HsUPP1EBJOC |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-7-12(3)20-16(18)14-9-6-8-13(11-14)15(17)19-10-5-2/h6,8-9,11-12H,4-5,7,10H2,1-3H3 |
| InChIKey | WUDCHCXBJQQSKZ-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoMH8d0Ig4b |
|---|---|
| Name | Isophthalic acid, 2-pentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-7-12(3)20-16(18)14-9-6-8-13(11-14)15(17)19-10-5-2/h6,8-9,11-12H,4-5,7,10H2,1-3H3 |
| InChIKey | WUDCHCXBJQQSKZ-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OC(C1=CC(C(OCCC)=O)=CC=C1)=O)(CCC)C |