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Hentetracontanoic acid, 18-oxo-

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Hentetracontanoic acid, 18-oxo-
SpectraBase Compound ID JFZ4I1KU98x
InChI InChI=1S/C41H80O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(42)38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39-41(43)44/h2-39H2,1H3,(H,43,44)
InChIKey BXFJBGSSNSNOHL-UHFFFAOYSA-N
Mol Weight 621.1 g/mol
Molecular Formula C41H80O3
Exact Mass 620.610746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tRf8FMQBw6
Name Hentetracontanoic acid, 18-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 620.610746433 u
Formula C41H80O3
InChI InChI=1S/C41H80O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(42)38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39-41(43)44/h2-39H2,1H3,(H,43,44)
InChIKey BXFJBGSSNSNOHL-UHFFFAOYSA-N
Molecular Weight 621.088 g/mol
SMILES C(C(CCCCCCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC(O)=O