| SpectraBase Compound ID | 1Jw9vk2S9Ap |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-8-17(14(2)3)23-19(21)12-11-18(20)22-13-16-10-7-6-9-15(16)4/h6-7,9-10,14,17H,5,8,11-13H2,1-4H3 |
| InChIKey | TWMVZXWGYIZKBA-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ukkK65FZto |
|---|---|
| Name | Succinic acid, 2-methylbenzyl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-8-17(14(2)3)23-19(21)12-11-18(20)22-13-16-10-7-6-9-15(16)4/h6-7,9-10,14,17H,5,8,11-13H2,1-4H3 |
| InChIKey | TWMVZXWGYIZKBA-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCC(OCC=1C(C)=CC=CC1)=O)(OC(CCC)C(C)C)=O |