| SpectraBase Compound ID | 1DcaaJzfr1Q |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-2-10-20-16(18)14-8-5-9-15(11-14)17(19)21-12-13-6-3-4-7-13/h5,8-9,11,13H,2-4,6-7,10,12H2,1H3 |
| InChIKey | SMRRAZZQTGMMLE-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54Kw6b01gAP |
|---|---|
| Name | Isophthalic acid, cyclopentylmethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-2-10-20-16(18)14-8-5-9-15(11-14)17(19)21-12-13-6-3-4-7-13/h5,8-9,11,13H,2-4,6-7,10,12H2,1H3 |
| InChIKey | SMRRAZZQTGMMLE-UHFFFAOYSA-N |
| SMILES | C1CCCC1COC(C1=CC(=CC=C1)C(OCCC)=O)=O |