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24-Methyl-pentacos-5,9-dienoic acid, pyrrolidide

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24-Methyl-pentacos-5,9-dienoic acid, pyrrolidide
SpectraBase Compound ID 8RjdknknM36
InChI InChI=1S/C30H55NO/c1-29(2)25-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26-30(32)31-27-23-24-28-31/h8,10,16,18,29H,3-7,9,11-15,17,19-28H2,1-2H3/b10-8-,18-16-
InChIKey ZQCPZGRUMREIDN-CVQIAKFNSA-N
Mol Weight 445.8 g/mol
Molecular Formula C30H55NO
Exact Mass 445.428365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95GKXdEwpjp
Name 24-Methyl-pentacos-5,9-dienoic acid, pyrrolidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.428365394 u
Formula C30H55NO
InChI InChI=1S/C30H55NO/c1-29(2)25-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26-30(32)31-27-23-24-28-31/h8,10,16,18,29H,3-7,9,11-15,17,19-28H2,1-2H3/b10-8-,18-16-
InChIKey ZQCPZGRUMREIDN-CVQIAKFNSA-N
Molecular Weight 445.776 g/mol
SMILES C(N1CCCC1)(CCC\C=C/CC\C=C/CCCCCCCCCCCCCC(C)C)=O