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3-(5'-Benzyloxy-4'-cyano-6'-methyl-3'-pyridyl)propyl methane-sulfonate
SpectraBase Compound ID Kl5ulpwGzq5
InChI InChI=1S/C18H20N2O4S/c1-14-18(23-13-15-7-4-3-5-8-15)17(11-19)16(12-20-14)9-6-10-24-25(2,21)22/h3-5,7-8,12H,6,9-10,13H2,1-2H3
InChIKey HKYHXEUJVUQJGW-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C18H20N2O4S
Exact Mass 360.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1xvbpIo243
Name 3-(5'-Benzyloxy-4'-cyano-6'-methyl-3'-pyridyl)propyl methane-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O4S
InChI InChI=1S/C18H20N2O4S/c1-14-18(23-13-15-7-4-3-5-8-15)17(11-19)16(12-20-14)9-6-10-24-25(2,21)22/h3-5,7-8,12H,6,9-10,13H2,1-2H3
InChIKey HKYHXEUJVUQJGW-UHFFFAOYSA-N
Molecular Weight 360.428 g/mol
SMILES C(OS(=O)(=O)C)CCc1c(c(OCc2ccccc2)c(nc1)C)C#N
SPLASH splash10-0006-9000000000-8f054b33e7d801462596
Source of Spectrum SB-46-69-25
Synonyms 3-(5'-Benzyloxy-4'-cyano-6'-methyl-3'-pyridyl)propyl methanesulphonate 3-(5'-Benzyloxy-4'-cyano-6-methyl-3'-pyridyl)propyl methane-sulfonate 3-[5-(benzyloxy)-4-cyano-6-methyl-3-pyridinyl]propyl methanesulfonate
Wiley ID 1348200