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4-(1-Isopropyl-2-pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile

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

4-(1-Isopropyl-2-pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile
SpectraBase Compound ID LDLVNxsvtkF
InChI InChI=1S/C25H28N2/c1-4-5-7-12-24-23(21-15-13-20(18-26)14-16-21)17-25(27(24)19(2)3)22-10-8-6-9-11-22/h6,8-11,13-17,19H,4-5,7,12H2,1-3H3
InChIKey DOSYUQAYOKCCIR-UHFFFAOYSA-N
Mol Weight 356.51 g/mol
Molecular Formula C25H28N2
Exact Mass 356.225249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrfYCHT0DDu
Name 4-(1-Isopropyl-2-pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.225248910 u
Formula C25H28N2
InChI InChI=1S/C25H28N2/c1-4-5-7-12-24-23(21-15-13-20(18-26)14-16-21)17-25(27(24)19(2)3)22-10-8-6-9-11-22/h6,8-11,13-17,19H,4-5,7,12H2,1-3H3
InChIKey DOSYUQAYOKCCIR-UHFFFAOYSA-N
Molecular Weight 356.513 g/mol
SMILES C(C=1C=CC(=CC1)C1=C(N(C(=C1)C=1C=CC=CC1)C(C)C)CCCCC)#N