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1-(2,4-dimethyl-1H-pyrrol-3-yl)-1-octadecanone
SpectraBase Compound ID DJwyGdDvIZU
InChI InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21(2)20-25-22(24)3/h20,25H,4-19H2,1-3H3
InChIKey AZZXWMSOMRAYKZ-UHFFFAOYSA-N
Mol Weight 361.6 g/mol
Molecular Formula C24H43NO
Exact Mass 361.334465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MpNrYwoefK
Name 1-(2,4-Dimethyl-1H-pyrrol-3-yl)-1-octadecanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.334465008 u
Formula C24H43NO
InChI InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21(2)20-25-22(24)3/h20,25H,4-19H2,1-3H3
InChIKey AZZXWMSOMRAYKZ-UHFFFAOYSA-N
Molecular Weight 361.614 g/mol
SMILES C=1(NC=C(C1C(CCCCCCCCCCCCCCCCC)=O)C)C