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2,4-Dimethyl-3-octadecanoyl-1-(3'-phenylpropionyl)-pyrrole

View entire compound with spectra: 1 MS (GC)

2,4-Dimethyl-3-octadecanoyl-1-(3'-phenylpropionyl)-pyrrole
SpectraBase Compound ID DWc2i11ZwMl
InChI InChI=1S/C33H51NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31(35)33-28(2)27-34(29(33)3)32(36)26-25-30-22-19-18-20-23-30/h18-20,22-23,27H,4-17,21,24-26H2,1-3H3
InChIKey RHKRYTFEGZIMAJ-UHFFFAOYSA-N
Mol Weight 493.8 g/mol
Molecular Formula C33H51NO2
Exact Mass 493.39198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeO9O3adZ9t
Name 2,4-Dimethyl-3-octadecanoyl-1-(3'-phenylpropionyl)-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H51NO2
InChI InChI=1S/C33H51NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31(35)33-28(2)27-34(29(33)3)32(36)26-25-30-22-19-18-20-23-30/h18-20,22-23,27H,4-17,21,24-26H2,1-3H3
InChIKey RHKRYTFEGZIMAJ-UHFFFAOYSA-N
Molecular Weight 493.776 g/mol
SMILES c1([n](cc(c1C(=O)CCCCCCCCCCCCCCCCC)C)C(=O)CCc1ccccc1)C
SPLASH splash10-00dr-0910000000-dd98ad1596b0e144f101
Source of Spectrum D8-329-486-7
Synonyms 1-[2,4-dimethyl-1-(3-phenylpropanoyl)-1H-pyrrol-3-yl]-1-octadecanone 1-[2,4-dimethyl-1-(1-oxo-3-phenylpropyl)-3-pyrrolyl]-1-octadecanone 1-[2,4-dimethyl-1-(3-phenylpropanoyl)pyrrol-3-yl]octadecan-1-one
Wiley ID 1516287