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2-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID GmVBdTL5OM9
InChI InChI=1S/C17H19N3OS/c1-12-9-13(2)19-17(18-12)22-11-16(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-11H2,1-2H3
InChIKey HMAAGTPXWSPQFW-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C17H19N3OS
Exact Mass 313.124883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JY4XfJ7W68U
Name 2-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-1,2,3,4-tetrahydroisoquinoline
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H19N3OS/c1-12-9-13(2)19-17(18-12)22-11-16(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-11H2,1-2H3
InChIKey HMAAGTPXWSPQFW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5860
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 123074; Labnumber: VGU-15024; VK_ID: VK-005863
Synonyms 2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl 4,6-dimethyl-2-pyrimidinyl sulfide
Temperature 308 °C