For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Heptylpyrimidine, 2-(3-chloro-4-pentylphenyl)-
SpectraBase Compound ID GpRcSFjBM4q
InChI InChI=1S/C22H31ClN2/c1-3-5-7-8-10-11-18-16-24-22(25-17-18)20-14-13-19(21(23)15-20)12-9-6-4-2/h13-17H,3-12H2,1-2H3
InChIKey RERIIKQXDCJXTQ-UHFFFAOYSA-N
Mol Weight 358.96 g/mol
Molecular Formula C22H31ClN2
Exact Mass 358.217577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 85z3NqnKpn1
Name 5-Heptylpyrimidine, 2-(3-chloro-4-pentylphenyl)-
Alternate Name(s) 2-(3-Chloranyl-4-pentyl-phenyl)-5-heptyl-pyrimidine 2-(3-Chloro-4-pentyl-phenyl)-5-heptyl-pyrimidine 2-(4-amyl-3-chloro-phenyl)-5-heptyl-pyrimidine
CAS Registry Number 87946-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31ClN2
InChI InChI=1S/C22H31ClN2/c1-3-5-7-8-10-11-18-16-24-22(25-17-18)20-14-13-19(21(23)15-20)12-9-6-4-2/h13-17H,3-12H2,1-2H3
InChIKey RERIIKQXDCJXTQ-UHFFFAOYSA-N
Molecular Weight 358.957 g/mol
SMILES c1nc(ncc1CCCCCCC)-c1ccc(c(c1)Cl)CCCCC
SPLASH splash10-0zfr-2239000000-ddead07fa197f0934b48
Wiley ID 1479040