![7-Oxabicyclo[4.1.0]heptane, retinal deriv.](/api/spectrum/GiN8sZ42V7C/structure.png?h=300&w=458 "7-Oxabicyclo[4.1.0]heptane, retinal deriv.")
| SpectraBase Compound ID | 3LF7ppRWgyX |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-15(7-6-8-16(2)10-12-21)9-11-20-18(3,4)13-17(22)14-19(20,5)23-20/h6-12,17,22H,13-14H2,1-5H3/b8-6+,11-9+,15-7+,16-10+/t17-,19+,20-/m0/s1 |
| InChIKey | KZTUCCPAMXRZMA-YTOQNLHGSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiN8sZ42V7C |
|---|---|
| Name | 7-Oxabicyclo[4.1.0]heptane, retinal deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-15(7-6-8-16(2)10-12-21)9-11-20-18(3,4)13-17(22)14-19(20,5)23-20/h6-12,17,22H,13-14H2,1-5H3/b8-6+,11-9+,15-7+,16-10+/t17-,19+,20-/m0/s1 |
| InChIKey | KZTUCCPAMXRZMA-YTOQNLHGSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | [C@@]12([C@](C[C@](CC2(C)C)(O)[H])(C)O1)\C=C\C(=C\C=C\C(=C\C=O)C)C |