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(Z)-Tritriacont-24-ene-2,4-dione
SpectraBase Compound ID 8oHllQj0w9a
InChI InChI=1S/C33H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33(35)31-32(2)34/h10-11H,3-9,12-31H2,1-2H3/b11-10-
InChIKey PYQSSJXHPITMSX-KHPPLWFESA-N
Mol Weight 490.9 g/mol
Molecular Formula C33H62O2
Exact Mass 490.474981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGGtqhl6KWP
Name (Z)-Tritriacont-24-ene-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.474981234 u
Formula C33H62O2
InChI InChI=1S/C33H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33(35)31-32(2)34/h10-11H,3-9,12-31H2,1-2H3/b11-10-
InChIKey PYQSSJXHPITMSX-KHPPLWFESA-N
Molecular Weight 490.857 g/mol
SMILES CC(CC(CCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC)=O)=O