| SpectraBase Spectrum ID |
KnHo63OnZpf |
| Name |
2-{Bicyclo[2.2.1]heptan-2-yl}-4-tert-butylphenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.193280075 u |
| Formula |
C19H26O2 |
| InChI |
InChI=1S/C19H26O2/c1-12(20)21-18-8-7-15(19(2,3)4)11-17(18)16-10-13-5-6-14(16)9-13/h7-8,11,13-14,16H,5-6,9-10H2,1-4H3/t13-,14+,16+/m1/s1 |
| InChIKey |
GTYCTMGGPFRSDM-YCPHGPKFSA-N |
| Molecular Weight |
286.415 g/mol |
| SMILES |
C1=C(C(=CC(=C1)C(C)(C)C)[C@]1(C[C@@]2(CC[C@]1(C2)[H])[H])[H])OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851421 |
![2-{Bicyclo[2.2.1]heptan-2-yl}-4-tert-butylphenyl acetate](/api/spectrum/KnHo63OnZpf/structure.png?h=300&w=458 "2-{Bicyclo[2.2.1]heptan-2-yl}-4-tert-butylphenyl acetate")
