| SpectraBase Compound ID | 3Me2kS3cnKM |
|---|---|
| InChI | InChI=1S/C29H44O4/c1-4-5-6-7-8-9-10-17-22-32-27(30)29(2,3)28(31)33-26(25-20-15-12-16-21-25)23-24-18-13-11-14-19-24/h12-13,15-16,18,20-21,24,26H,4-11,14,17,19,22-23H2,1-3H3 |
| InChIKey | RFCTVWVKFJHBIY-UHFFFAOYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C29H44O4 |
| Exact Mass | 456.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5udh2fYfQPK |
|---|---|
| Name | Dimethylmalonic acid, decyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.323959893 u |
| Formula | C29H44O4 |
| InChI | InChI=1S/C29H44O4/c1-4-5-6-7-8-9-10-17-22-32-27(30)29(2,3)28(31)33-26(25-20-15-12-16-21-25)23-24-18-13-11-14-19-24/h12-13,15-16,18,20-21,24,26H,4-11,14,17,19,22-23H2,1-3H3 |
| InChIKey | RFCTVWVKFJHBIY-UHFFFAOYSA-N |
| Molecular Weight | 456.667 g/mol |
| SMILES | C1=CC=C(C=C1)C(OC(=O)C(C)(C)C(OCCCCCCCCCC)=O)CC1C=CCCC1 |