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1,2-Dihexylcyclopropene-3-carboxylic acid

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

1,2-Dihexylcyclopropene-3-carboxylic acid
SpectraBase Compound ID 2yCnDIjaGim
InChI InChI=1S/C16H28O2/c1-3-5-7-9-11-13-14(15(13)16(17)18)12-10-8-6-4-2/h15H,3-12H2,1-2H3,(H,17,18)
InChIKey HIZHTBNZCIJIHX-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DmAHo0SKxDH
Name 1,2-Dihexylcyclopropene-3-carboxylic acid
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/c1-3-5-7-9-11-13-14(15(13)16(17)18)12-10-8-6-4-2/h15H,3-12H2,1-2H3,(H,17,18)
InChIKey HIZHTBNZCIJIHX-UHFFFAOYSA-N
Molecular Weight 252.398 g/mol
SMILES C1(C(CCCCCC)=C1CCCCCC)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88423