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Cyclopropanedecanoic acid, 2-hexyl-, methyl ester

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

Cyclopropanedecanoic acid, 2-hexyl-, methyl ester
SpectraBase Compound ID L21aCoFEm0x
InChI InChI=1S/C20H38O2/c1-3-4-5-11-14-18-17-19(18)15-12-9-7-6-8-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3
InChIKey HASAQWANQLNRRS-UHFFFAOYSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1B2s4I64wSy
Name Cyclopropanedecanoic acid, 2-hexyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-4-5-11-14-18-17-19(18)15-12-9-7-6-8-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3
InChIKey HASAQWANQLNRRS-UHFFFAOYSA-N
Molecular Weight 310.522 g/mol
SMILES C(CC1C(CCCCCC)C1)CCCCCCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864695