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5-(Allyloxy)-6-oxobicyclo[2.2.1]heptane-2-carboxylic acid

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

5-(Allyloxy)-6-oxobicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID Ku5VrOjEKiq
InChI InChI=1S/C11H14O4/c1-2-3-15-10-6-4-7(9(10)12)8(5-6)11(13)14/h2,6-8,10H,1,3-5H2,(H,13,14)
InChIKey CYYWLLFMVBXJAN-UHFFFAOYSA-N
Mol Weight 210.23 g/mol
Molecular Formula C11H14O4
Exact Mass 210.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F6GzrmdHuU9
Name 5-(Allyloxy)-6-oxobicyclo[2.2.1]heptane-2-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.089208927 u
Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-2-3-15-10-6-4-7(9(10)12)8(5-6)11(13)14/h2,6-8,10H,1,3-5H2,(H,13,14)
InChIKey CYYWLLFMVBXJAN-UHFFFAOYSA-N
Molecular Weight 210.229 g/mol
SMILES C12C(C(OCC=C)C(C2)CC1C(=O)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918323