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1,3-Dioxane, 4-(hexadecyloxy)-2-pentadecyl-

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

1,3-Dioxane, 4-(hexadecyloxy)-2-pentadecyl-
SpectraBase Compound ID 75Vc0MNsXCY
InChI InChI=1S/C35H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-36-35-31-33-37-34(38-35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3
InChIKey QBAMRCAAKYOWDU-UHFFFAOYSA-N
Mol Weight 538.9 g/mol
Molecular Formula C35H70O3
Exact Mass 538.532496 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6EcJqvnWGTr
Name 1,3-Dioxane, 4-(hexadecyloxy)-2-pentadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.532496111 u
Formula C35H70O3
InChI InChI=1S/C35H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-36-35-31-33-37-34(38-35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3
InChIKey QBAMRCAAKYOWDU-UHFFFAOYSA-N
Molecular Weight 538.942 g/mol
SMILES C(OC1OC(CCCCCCCCCCCCCCC)OCC1)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861332