| SpectraBase Compound ID | 1o8k0dE44sr |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-4-21-11-12-23-18(20)16-9-5-8-15(13-16)17(19)22-10-6-7-14(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3 |
| InChIKey | NCSFCEVRDMJSLI-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8UrQ2JgWR29 |
|---|---|
| Name | Isophthalic acid, 2-ethoxyethyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-4-21-11-12-23-18(20)16-9-5-8-15(13-16)17(19)22-10-6-7-14(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3 |
| InChIKey | NCSFCEVRDMJSLI-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OCCOCC)=O)C(OCCCC(C)C)=O |