| SpectraBase Compound ID | 3se0Xf14P6p |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-3-11-22-17(19)13-5-4-6-14(12-13)18(20)23-16-9-7-15(21-2)8-10-16/h4-10,12H,3,11H2,1-2H3 |
| InChIKey | NHSYFFIKEWVDCB-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HDZfvughB |
|---|---|
| Name | Isophthalic acid, 4-methoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.115423675 u |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-3-11-22-17(19)13-5-4-6-14(12-13)18(20)23-16-9-7-15(21-2)8-10-16/h4-10,12H,3,11H2,1-2H3 |
| InChIKey | NHSYFFIKEWVDCB-UHFFFAOYSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C1=CC(=CC=C1)C(OCCC)=O)=O)OC |