| SpectraBase Compound ID | AuPBbgcyFtz |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(2)3/h5-8,10-11,14H,4,9,12-13H2,1-3H3/b6-5+ |
| InChIKey | GBYDXBQWCQVNCV-AATRIKPKSA-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 | CAX2ykgEvO |
|---|---|
| Name | Phthalic acid, isobutyl trans-hex-3-enyl 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/c1-4-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(2)3/h5-8,10-11,14H,4,9,12-13H2,1-3H3/b6-5+ |
| InChIKey | GBYDXBQWCQVNCV-AATRIKPKSA-N |
| SMILES | C1(=CC=CC=C1C(OCC(C)C)=O)C(OCC\C=C\CC)=O |