SpectraBase Spectrum ID |
L6zPyWGr9vq |
Name |
Cyclotridec-3-ene carboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.177630011 u |
Formula |
C14H24O2 |
InChI |
InChI=1S/C14H24O2/c15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12-13/h7,9,13H,1-6,8,10-12H2,(H,15,16)/b9-7- |
InChIKey |
PJROIDXQZVTPDV-CLFYSBASSA-N |
Molecular Weight |
224.344 g/mol |
SMILES |
C(=O)(C1C\C=C/CCCCCCCCC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960013 |