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3-[5-[5-(3-Chloranyl-2-methyl-propyl)thiophen-2-yl]pentyl]pyridine

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

3-[5-[5-(3-Chloranyl-2-methyl-propyl)thiophen-2-yl]pentyl]pyridine
SpectraBase Compound ID LMtOSovHNYE
InChI InChI=1S/C18H24ClNS/c1-15(13-19)12-18-10-9-17(21-18)8-4-2-3-6-16-7-5-11-20-14-16/h5,7,9-11,14-15H,2-4,6,8,12-13H2,1H3
InChIKey LNXHDQKZWZUTEJ-UHFFFAOYSA-N
Mol Weight 321.91 g/mol
Molecular Formula C18H24ClNS
Exact Mass 321.131799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BC8k9fe6MrO
Name 3-[5-[5-(3-Chloranyl-2-methyl-propyl)thiophen-2-yl]pentyl]pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.131798651 u
Formula C18H24ClNS
InChI InChI=1S/C18H24ClNS/c1-15(13-19)12-18-10-9-17(21-18)8-4-2-3-6-16-7-5-11-20-14-16/h5,7,9-11,14-15H,2-4,6,8,12-13H2,1H3
InChIKey LNXHDQKZWZUTEJ-UHFFFAOYSA-N
Molecular Weight 321.910 g/mol
SMILES C=1(SC(=CC1)CCCCCC=1C=NC=CC1)CC(CCl)C