| SpectraBase Compound ID | 6DKHkAr8NGI |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-15-7-5-8-16(13-15)22-18(20)10-6-9-17(19)21-12-11-14(2)3/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3 |
| InChIKey | TWQKWFQSSGZARQ-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 | Cuqd2g5mbDK |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 3-ethylphenyl 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/c1-4-15-7-5-8-16(13-15)22-18(20)10-6-9-17(19)21-12-11-14(2)3/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3 |
| InChIKey | TWQKWFQSSGZARQ-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC1=CC=CC(CC)=C1)=O |