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(6Z,9Z,12Z,15Z,18Z)-2-heneicosa-6,9,12,15,18-pentaenone

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(6Z,9Z,12Z,15Z,18Z)-2-heneicosa-6,9,12,15,18-pentaenone
SpectraBase Compound ID LKaJg2qoyVm
InChI InChI=1S/C21H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKey MBJNLPRJOGVHFS-JEBPEJKESA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xOCRLuY1Et
Name (6Z,9Z,12Z,15Z,18Z)-2-Heneicosa-6,9,12,15,18-pentaenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.245315649 u
Formula C21H32O
InChI InChI=1S/C21H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKey MBJNLPRJOGVHFS-JEBPEJKESA-N
SMILES C(=O)(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C