![(E)-2-Methyl-3-[3'-(adamantan-1-yl)-4'-hydroxybiphenyl-4-yl]acrylic Acid](/api/spectrum/20U3JOSMtD6/structure.png?h=300&w=458 "(E)-2-Methyl-3-[3'-(adamantan-1-yl)-4'-hydroxybiphenyl-4-yl]acrylic Acid")
| SpectraBase Compound ID | HGaXiIPvOCU |
|---|---|
| InChI | InChI=1S/C26H28O3/c1-16(25(28)29)8-17-2-4-21(5-3-17)22-6-7-24(27)23(12-22)26-13-18-9-19(14-26)11-20(10-18)15-26/h2-8,12,18-20,27H,9-11,13-15H2,1H3,(H,28,29)/b16-8+/t18-,19+,20-,26- |
| InChIKey | DEGMKVCJFDPLOO-KCBTZHOXSA-N |
| Mol Weight | 388.51 g/mol |
| Molecular Formula | C26H28O3 |
| Exact Mass | 388.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 20U3JOSMtD6 |
|---|---|
| Name | (E)-2-Methyl-3-[3'-(adamantan-1-yl)-4'-hydroxybiphenyl-4-yl]acrylic Acid |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.203844759 u |
| Formula | C26H28O3 |
| InChI | InChI=1S/C26H28O3/c1-16(25(28)29)8-17-2-4-21(5-3-17)22-6-7-24(27)23(12-22)26-13-18-9-19(14-26)11-20(10-18)15-26/h2-8,12,18-20,27H,9-11,13-15H2,1H3,(H,28,29)/b16-8+/t18-,19+,20-,26- |
| InChIKey | DEGMKVCJFDPLOO-KCBTZHOXSA-N |
| Ionization Type | EI |
| Molecular Weight | 388.507 g/mol |
| Quality | 79 |
| SMILES | OC1=C(C=C(C2=CC=C(\C=C\(C(O)=O)C)C=C2)C=C1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| SPLASH | splash10-002r-4229000000-9eb24fb3b71580bb6b98 |
| Source of Spectrum | US20220281835A1 |
| Wiley ID | 1892720 |