SpectraBase Spectrum ID |
BUlecyQ5cmO |
Name |
Cyclobutanecarboxylic acid, undecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
254.224580204 u |
Formula |
C16H30O2 |
InChI |
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-14-18-16(17)15-12-11-13-15/h15H,2-14H2,1H3 |
InChIKey |
AMWBYNXSBLOXFL-UHFFFAOYSA-N |
Molecular Weight |
254.414 g/mol |
SMILES |
C(CCCCCCCCCC)OC(=O)C1CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957229 |