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BRIJ 58

View entire compound with spectra: 1 NMR, 4 FTIR, and 1 Raman

BRIJ 58
SpectraBase Compound ID EUCLEJuP5kV
InChI InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3
InChIKey NLMKTBGFQGKQEV-UHFFFAOYSA-N
Mol Weight 1123.5 g/mol
Molecular Formula C56H114O21
Exact Mass 1122.785261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qwWcKo5cnB
Name poe (2) Cetyl alcohol ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1122.785260670 u
Formula C56H114O21
InChI InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3
InChIKey NLMKTBGFQGKQEV-UHFFFAOYSA-N
Molecular Weight 1123.507 g/mol
Nominal Mass 1122 u
SMILES C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCC