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

*Links on SpectraBase are not permalinks.
1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
SpectraBase Compound ID LVdXxp0sS5N
InChI InChI=1S/C18H21N3S/c1-12-9-13(2)20-17(19-12)22-11-16-15-8-6-5-7-14(15)10-18(3,4)21-16/h5-9H,10-11H2,1-4H3
InChIKey PHJLNUSCNOHGCT-UHFFFAOYSA-N
Mol Weight 311.45 g/mol
Molecular Formula C18H21N3S
Exact Mass 311.145619 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 5W0DjMk9nCS
Name 1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
Alternate Name(s) 1-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3,3-dimethyl-4H-isoquinoline 1-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3,3-dimethyl-4H-isoquinoline 3,4-Dihydroisoquinoline, 1-(4,6-dimethylpyrimidin-2-ylsulfanylmethyl)-3,3-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3S
InChI InChI=1S/C18H21N3S/c1-12-9-13(2)20-17(19-12)22-11-16-15-8-6-5-7-14(15)10-18(3,4)21-16/h5-9H,10-11H2,1-4H3
InChIKey PHJLNUSCNOHGCT-UHFFFAOYSA-N
Molecular Weight 311.447 g/mol
SMILES c1cc2C(=NC(Cc2cc1)(C)C)CSc1nc(C)cc(n1)C
SPLASH splash10-00vi-3950000000-cace506b7f74a2fda113
Wiley ID 1441984