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Pyrimidine, 5-heptyl-2-[4-(octyloxy)phenyl]-
SpectraBase Compound ID G0ZYj4dzZsL
InChI InChI=1S/C25H38N2O/c1-3-5-7-9-11-13-19-28-24-17-15-23(16-18-24)25-26-20-22(21-27-25)14-12-10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3
InChIKey VLJJKDDNKBVZPX-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C25H38N2O
Exact Mass 382.298414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Isbs0FSG7Ku
Name 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine
CAS Registry Number 57202-39-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38N2O
InChI InChI=1S/C25H38N2O/c1-3-5-7-9-11-13-19-28-24-17-15-23(16-18-24)25-26-20-22(21-27-25)14-12-10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3
InChIKey VLJJKDDNKBVZPX-UHFFFAOYSA-N
Molecular Weight 382.592 g/mol
SMILES c1(OCCCCCCCC)ccc(cc1)-c1ncc(cn1)CCCCCCC
SPLASH splash10-000i-5931000000-75cbcc4deebabcc9ca80
Synonyms 5-Heptyl-2-(4-octoxyphenyl)pyrimidine Pyrimidine, 5-heptyl-2-[4-(octyloxy)phenyl]-
Wiley ID 1475859