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

*Links on SpectraBase are not permalinks.

4-(5-Hexyl-2-pyrimidinyl)phenyl 2-chloropropanoate

View entire compound with spectra: 3 MS (GC)

4-(5-Hexyl-2-pyrimidinyl)phenyl 2-chloropropanoate
SpectraBase Compound ID 8fvgMCRYUi3
InChI InChI=1S/C19H23ClN2O2/c1-3-4-5-6-7-15-12-21-18(22-13-15)16-8-10-17(11-9-16)24-19(23)14(2)20/h8-14H,3-7H2,1-2H3
InChIKey KLTLUCMXXSSMDS-UHFFFAOYSA-N
Mol Weight 346.86 g/mol
Molecular Formula C19H23ClN2O2
Exact Mass 346.144806 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 I1NK7Tpg50C
Name 4-(5-Hexyl-2-pyrimidinyl)phenyl 2-chloropropanoate
CAS Registry Number 108552-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23ClN2O2
InChI InChI=1S/C19H23ClN2O2/c1-3-4-5-6-7-15-12-21-18(22-13-15)16-8-10-17(11-9-16)24-19(23)14(2)20/h8-14H,3-7H2,1-2H3
InChIKey KLTLUCMXXSSMDS-UHFFFAOYSA-N
Molecular Weight 346.858 g/mol
SMILES c1c(ccc(OC(C(C)Cl)=O)c1)-c1ncc(cn1)CCCCCC
SPLASH splash10-0a4r-3981000000-193a0e12d03c7edafbd9
Synonyms Propanoic acid, 2-chloro-, 4-(5-hexyl-2-pyrimidinyl)phenyl ester 2-Chloropropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester [4-(5-hexylpyrimidin-2-yl)phenyl] 2-chloropropanoate [4-(5-hexylpyrimidin-2-yl)phenyl] 2-chloranylpropanoate
Wiley ID 1476126