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

*Links on SpectraBase are not permalinks.
6-(Methylsulfanyl)-3-[3'-(2''-(methoxycarbonyl)phenyl)propyl]imidazo[2,1-f]-[1,2,4]-triazine
SpectraBase Compound ID BRR2Tni9sv4
InChI InChI=1S/C17H18N4O2S/c1-23-16(22)14-9-4-3-6-12(14)7-5-8-13-10-18-15-11-19-17(24-2)20-21(13)15/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKey LGIUXFZILWNKPZ-UHFFFAOYSA-N
Mol Weight 342.42 g/mol
Molecular Formula C17H18N4O2S
Exact Mass 342.115047 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 87nBi96ZTrv
Name 6-(Methylsulfanyl)-3-[3'-(2''-(methoxycarbonyl)phenyl)propyl]imidazo[2,1-f]-[1,2,4]-triazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O2S
InChI InChI=1S/C17H18N4O2S/c1-23-16(22)14-9-4-3-6-12(14)7-5-8-13-10-18-15-11-19-17(24-2)20-21(13)15/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKey LGIUXFZILWNKPZ-UHFFFAOYSA-N
Molecular Weight 342.417 g/mol
SMILES C1(=N[n]2c(C=N1)ncc2CCCc1c(C(=O)OC)cccc1)SC
SPLASH splash10-001i-2092000000-7379fb0eb7cadd95c2e7
Source of Spectrum F5-6-4457-12
Synonyms Methyl 2-(3-(2-(methylthio)imidazo[2,1-f][1,2,4]triazin-7-yl)propyl)benzoate 2-[3-[2-(methylthio)-7-imidazo[2,1-f][1,2,4]triazinyl]propyl]benzoic acid methyl ester Methyl 2-[3-(2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)propyl]benzoate
Wiley ID 1733725