SpectraBase Spectrum ID |
8DEjOQKwIw4 |
Name |
Cyclobutanecarboxylic acid, undec-10-enyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.208930140 u |
Formula |
C16H28O2 |
InChI |
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-14-18-16(17)15-12-11-13-15/h2,15H,1,3-14H2 |
InChIKey |
IKZJAITWFVXWMT-UHFFFAOYSA-N |
Molecular Weight |
252.398 g/mol |
SMILES |
C(CCCCCCCCCOC(=O)C1CCC1)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952562 |