| SpectraBase Compound ID | HlwZsRj6EOc |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-14-9-7-8-10-16(14)22-18(20)12-11-17(19)21-15(6-2)13(3)4/h7-10,13,15H,5-6,11-12H2,1-4H3 |
| InChIKey | XRBKINZUMSFFIT-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 | 8nlEracud3C |
|---|---|
| Name | Succinic acid, 2-methylpent-3-yl 2-ethylphenyl 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/c1-5-14-9-7-8-10-16(14)22-18(20)12-11-17(19)21-15(6-2)13(3)4/h7-10,13,15H,5-6,11-12H2,1-4H3 |
| InChIKey | XRBKINZUMSFFIT-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CC(OC(CC)C(C)C)=O)C(OC=1C(CC)=CC=CC1)=O |