| SpectraBase Spectrum ID |
7ivWlG2L4Oy |
| Name |
Methyl 2,4-di-tert-butylbicyclo[2.2.1]hept-2-en-7-one-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-15(2,3)12-9-17(16(4,5)6)11(14(19)20-7)8-10(12)13(17)18/h9-11H,8H2,1-7H3/t10-,11?,17+/m1/s1 |
| InChIKey |
XKNNRYCIUVZNJT-NDXCPEPRSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
[C@@]12(C([C@@](C(=C2)C(C)(C)C)(CC1C(=O)OC)[H])=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920607 |
![Methyl 2,4-di-tert-butylbicyclo[2.2.1]hept-2-en-7-one-5-carboxylate](/api/spectrum/7ivWlG2L4Oy/structure.png?h=300&w=458 "Methyl 2,4-di-tert-butylbicyclo[2.2.1]hept-2-en-7-one-5-carboxylate")
