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2-Hexyl-2-[(octyloxy)methyl]-15-crown-5

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

2-Hexyl-2-[(octyloxy)methyl]-15-crown-5
SpectraBase Compound ID 62g2YHGwJh1
InChI InChI=1S/C25H50O6/c1-3-5-7-9-10-12-14-29-23-25(13-11-8-6-4-2)24-30-20-19-27-16-15-26-17-18-28-21-22-31-25/h3-24H2,1-2H3
InChIKey LDZIUQFZLGWXIB-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C25H50O6
Exact Mass 446.360739 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G99rgJ9Uqe7
Name 2-Hexyl-2-[(octyloxy)methyl]-15-crown-5
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.360739324 u
Formula C25H50O6
InChI InChI=1S/C25H50O6/c1-3-5-7-9-10-12-14-29-23-25(13-11-8-6-4-2)24-30-20-19-27-16-15-26-17-18-28-21-22-31-25/h3-24H2,1-2H3
InChIKey LDZIUQFZLGWXIB-UHFFFAOYSA-N
Molecular Weight 446.669 g/mol
SMILES C1(OCCOCCOCCOCCOC1)(COCCCCCCCC)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874214