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1,2-Dipentylcyclopropene-3-carboxylic acid

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

1,2-Dipentylcyclopropene-3-carboxylic acid
SpectraBase Compound ID 2YS3Pds1DyZ
InChI InChI=1S/C14H24O2/c1-3-5-7-9-11-12(10-8-6-4-2)13(11)14(15)16/h13H,3-10H2,1-2H3,(H,15,16)
InChIKey HJDOCHFJWBYRFD-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID k8F1ifQQUH
Name 1,2-Dipentylcyclopropene-3-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/c1-3-5-7-9-11-12(10-8-6-4-2)13(11)14(15)16/h13H,3-10H2,1-2H3,(H,15,16)
InChIKey HJDOCHFJWBYRFD-UHFFFAOYSA-N
Molecular Weight 224.344 g/mol
SMILES C1(C(CCCCC)=C1CCCCC)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874992