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1-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-1-butanone

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

1-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-1-butanone
SpectraBase Compound ID AYePj8a7KXL
InChI InChI=1S/C18H26O6/c1-2-3-16(19)15-4-5-17-18(14-15)24-13-11-22-9-7-20-6-8-21-10-12-23-17/h4-5,14H,2-3,6-13H2,1H3
InChIKey CJBCKBGAXBGUJZ-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C18H26O6
Exact Mass 338.172939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3na12AX9gR5
Name 1-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-1-butanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.172938551 u
Formula C18H26O6
InChI InChI=1S/C18H26O6/c1-2-3-16(19)15-4-5-17-18(14-15)24-13-11-22-9-7-20-6-8-21-10-12-23-17/h4-5,14H,2-3,6-13H2,1H3
InChIKey CJBCKBGAXBGUJZ-UHFFFAOYSA-N
Molecular Weight 338.400 g/mol
SMILES C1=2C=C(C(=O)CCC)C=CC2OCCOCCOCCOCCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957018