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trieicosanoin

View entire compound with spectra: 2 NMR, and 1 FTIR

trieicosanoin
SpectraBase Compound ID Ia3vSNsPqxH
InChI InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
InChIKey KCVWRCXEUJUXIG-UHFFFAOYSA-N
Mol Weight 975.7 g/mol
Molecular Formula C63H122O6
Exact Mass 974.924142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5T53LpiZpXK
Name TRIEICOSANOIN
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 620-64-4
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C63H122O6
InChI InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
InChIKey KCVWRCXEUJUXIG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 78C
Molecular Weight 975.67
Solvent CDCl3; Reference=TMS; Temperature 297K