![Propanedioic acid, [[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]methyl]-, dimethyl ester](/api/spectrum/5oAvLnCD0ld/structure.png?h=300&w=458 "Propanedioic acid, [[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]methyl]-, dimethyl ester")
| SpectraBase Compound ID | Ch5BraLklb6 |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-16(2,3)12-8-6-11(7-9-12)10-13(14(17)19-4)15(18)20-5/h6,12-13H,7-10H2,1-5H3 |
| InChIKey | SABSOOKUPZIEJX-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oAvLnCD0ld |
|---|---|
| Name | Propanedioic acid, [[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]methyl]-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-16(2,3)12-8-6-11(7-9-12)10-13(14(17)19-4)15(18)20-5/h6,12-13H,7-10H2,1-5H3 |
| InChIKey | SABSOOKUPZIEJX-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC)(C(=O)OC)CC1=CCC(C(C)(C)C)CC1 |