| SpectraBase Spectrum ID |
3NDULmUQewo |
| Name |
Endo-7-(4,6-di-tert.-butyl-2-methylphenyl)-2,6-dioxabicyclo-[3.2.0]-heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-12-10-13(19(2,3)4)11-14(20(5,6)7)16(12)18-17-15(22-18)8-9-21-17/h10-11,15,17-18H,8-9H2,1-7H3/t15-,17+,18+/m0/s1 |
| InChIKey |
BNFPRNPOGLOEDH-CGTJXYLNSA-N |
| SMILES |
[C@]1(O[C@@]2([C@]1(OCC2)[H])[H])(C=1C(=CC(=CC1C)C(C)(C)C)C(C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960702 |
![Endo-7-(4,6-di-tert.-butyl-2-methylphenyl)-2,6-dioxabicyclo-[3.2.0]-heptane](/api/spectrum/3NDULmUQewo/structure.png?h=300&w=458 "Endo-7-(4,6-di-tert.-butyl-2-methylphenyl)-2,6-dioxabicyclo-[3.2.0]-heptane")
