| SpectraBase Compound ID | 2bpRPZeyxd1 |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-3-13-9-5-8-12-16(13)22-18(20)15-11-7-6-10-14(15)17(19)21-4-2/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3 |
| InChIKey | YNVXZKRWJDOREK-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iq5lvb7Q7n |
|---|---|
| Name | Phthalic acid, ethyl 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-3-13-9-5-8-12-16(13)22-18(20)15-11-7-6-10-14(15)17(19)21-4-2/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3 |
| InChIKey | YNVXZKRWJDOREK-UHFFFAOYSA-N |
| SMILES | CCC1C(OC(C2=C(C(OCC)=O)C=CC=C2)=O)CCCC1 |