SpectraBase Spectrum ID |
F5NFfVne0S5 |
Name |
Tert-butyl (1-methylcyclopentadecyl}acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
338.318480590 u |
Formula |
C22H42O2 |
InChI |
InChI=1S/C22H42O2/c1-21(2,3)24-20(23)19-22(4)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22/h5-19H2,1-4H3 |
InChIKey |
BFKITFSLSRLKNS-UHFFFAOYSA-N |
Molecular Weight |
338.576 g/mol |
SMILES |
C(OC(C)(C)C)(=O)CC1(C)CCCCCCCCCCCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908309 |