| SpectraBase Compound ID | HV1YXLoAaDp |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-21-17(19)16(18(20)22-2)12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3 |
| InChIKey | BHCNDJFMQNZQJF-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 | G1MbzBdP0dk |
|---|---|
| Name | 2-(Cyclohexylphenyl)methylmalonic acid dimethyl 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/c1-21-17(19)16(18(20)22-2)12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3 |
| InChIKey | BHCNDJFMQNZQJF-UHFFFAOYSA-N |
| SMILES | C(CC=1C(C2CCCCC2)=CC=CC1)(C(=O)OC)C(=O)OC |