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Bicyclo[2.2.2]oct-2-ene-1-carboxylic acid
SpectraBase Compound ID EyUj3Sdp8l4
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
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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