| SpectraBase Compound ID | 70Rk38cfQdz |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-6-7-12-21-17(19)15-10-8-11-16(13-15)18(20)22-14(3)9-5-2/h8,10-11,13-14H,4-7,9,12H2,1-3H3 |
| InChIKey | MVPTZXKODTXALE-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CdpzCKaoXQ |
|---|---|
| Name | Isophthalic acid, pentyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-6-7-12-21-17(19)15-10-8-11-16(13-15)18(20)22-14(3)9-5-2/h8,10-11,13-14H,4-7,9,12H2,1-3H3 |
| InChIKey | MVPTZXKODTXALE-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)(CCC)C |