SpectraBase Spectrum ID |
GkBgcBvUtSP |
Name |
Bicyclo[2.2.2]oct-2-ene-1-carboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
152.083729624 u |
Formula |
C9H12O2 |
InChI |
InChI=1S/C9H12O2/c10-8(11)9-4-1-7(2-5-9)3-6-9/h1,4,7H,2-3,5-6H2,(H,10,11)/t7-,9- |
InChIKey |
CKHVIPJAGMCQPO-XWEPSHTISA-N |
Molecular Weight |
152.193 g/mol |
SMILES |
OC([C@]12C=C[C@@](CC2)(CC1)[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962374 |