| SpectraBase Compound ID | 678K8HkmcBN |
|---|---|
| InChI | InChI=1S/C24H32O4/c25-21(27-23-17-5-13-3-14(7-17)8-18(23)6-13)1-2-22(26)28-24-19-9-15-4-16(11-19)12-20(24)10-15/h1-2,13-20,23-24H,3-12H2/b2-1+/t13-,14+,15-,16+,17-,18+,19-,20+,23?,24? |
| InChIKey | CYYZAUKNTVFJRN-VEVPGGLXSA-N |
| Mol Weight | 384.5 g/mol |
| Molecular Formula | C24H32O4 |
| Exact Mass | 384.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6twWa0s1Pb |
|---|---|
| Name | Fumaric acid, di(2-adamantyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.230059506 u |
| Formula | C24H32O4 |
| InChI | InChI=1S/C24H32O4/c25-21(27-23-17-5-13-3-14(7-17)8-18(23)6-13)1-2-22(26)28-24-19-9-15-4-16(11-19)12-20(24)10-15/h1-2,13-20,23-24H,3-12H2/b2-1+/t13-,14+,15-,16+,17-,18+,19-,20+,23?,24? |
| InChIKey | CYYZAUKNTVFJRN-VEVPGGLXSA-N |
| Molecular Weight | 384.516 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2)(C[C@](C1OC(\C=C\C(OC1[C@]2(C[C@@]4(C[C@](C2)(C[C@]1(C4)[H])[H])[H])[H])=O)=O)(C3)[H])[H])[H])[H] |