| SpectraBase Compound ID | 7Kr7YOg7cjn |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-3-20-16(18)13-8-6-9-14(11-13)17(19)21-15-10-5-4-7-12(15)2/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3 |
| InChIKey | KXZMUFYBAJVJCQ-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 | 5bAJVrzFl3Y |
|---|---|
| Name | Isophthalic acid, ethyl 2-methylcyclohexyl 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/c1-3-20-16(18)13-8-6-9-14(11-13)17(19)21-15-10-5-4-7-12(15)2/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3 |
| InChIKey | KXZMUFYBAJVJCQ-UHFFFAOYSA-N |
| SMILES | C1CC(C(CC1)OC(C1=CC(C(OCC)=O)=CC=C1)=O)C |