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1-(2-n-Heptyl-1-(2-fluorophenyl)-4,5-dimethyl-1H-pyrrol-3-yl)ethanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(2-n-Heptyl-1-(2-fluorophenyl)-4,5-dimethyl-1H-pyrrol-3-yl)ethanone
SpectraBase Compound ID JFuPf1Eldis
InChI InChI=1S/C21H28FNO/c1-5-6-7-8-9-14-20-21(17(4)24)15(2)16(3)23(20)19-13-11-10-12-18(19)22/h10-13H,5-9,14H2,1-4H3
InChIKey JVPBGHRKYRAZJD-UHFFFAOYSA-N
Mol Weight 329.46 g/mol
Molecular Formula C21H28FNO
Exact Mass 329.215493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1Vq44RQ51q
Name 1-(2-N-Heptyl-1-(2-fluorophenyl)-4,5-dimethyl-1H-pyrrol-3-yl)ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.215492688 u
Formula C21H28FNO
InChI InChI=1S/C21H28FNO/c1-5-6-7-8-9-14-20-21(17(4)24)15(2)16(3)23(20)19-13-11-10-12-18(19)22/h10-13H,5-9,14H2,1-4H3
InChIKey JVPBGHRKYRAZJD-UHFFFAOYSA-N
Molecular Weight 329.459 g/mol
SMILES C1(N2C(=C(C(=C2CCCCCCC)C(C)=O)C)C)=C(C=CC=C1)F