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[(1Z,4Z)-4-Phenyl-1-undecylidene-4-pentadecen-2-ynyl]benzene

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[(1Z,4Z)-4-Phenyl-1-undecylidene-4-pentadecen-2-ynyl]benzene
SpectraBase Compound ID LAtss6v6GIz
InChI InChI=1S/C38H54/c1-3-5-7-9-11-13-15-17-21-31-37(35-27-23-19-24-28-35)33-34-38(36-29-25-20-26-30-36)32-22-18-16-14-12-10-8-6-4-2/h19-20,23-32H,3-18,21-22H2,1-2H3/b37-31-,38-32+
InChIKey QFARSCPXHHBABR-JJTCPOHDSA-N
Mol Weight 510.9 g/mol
Molecular Formula C38H54
Exact Mass 510.422552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID sdzPIb0uVa
Name [(1Z,4Z)-4-Phenyl-1-undecylidene-4-pentadecen-2-ynyl]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.422551739 u
Formula C38H54
InChI InChI=1S/C38H54/c1-3-5-7-9-11-13-15-17-21-31-37(35-27-23-19-24-28-35)33-34-38(36-29-25-20-26-30-36)32-22-18-16-14-12-10-8-6-4-2/h19-20,23-32H,3-18,21-22H2,1-2H3/b37-31-,38-32+
InChIKey QFARSCPXHHBABR-JJTCPOHDSA-N
Molecular Weight 510.850 g/mol
SMILES CCCCCCCCCC\C=C/(C#C\C(=C\CCCCCCCCCC)C1=CC=CC=C1)C1=CC=CC=C1