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1-Benzyl-5-chloro-3-methoxy-6-[(2-propynylsulfanyl)methyl]-2-(1H)-pyrazinone
SpectraBase Compound ID E7NvAAUBjId
InChI InChI=1S/C16H15ClN2O2S/c1-3-9-22-11-13-14(17)18-15(21-2)16(20)19(13)10-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3
InChIKey DKPBELMSXFHFCD-UHFFFAOYSA-N
Mol Weight 334.82 g/mol
Molecular Formula C16H15ClN2O2S
Exact Mass 334.054277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dAJau1diiU
Name 1-Benzyl-5-chloro-3-methoxy-6-[(2-propynylsulfanyl)methyl]-2-(1H)-pyrazinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN2O2S
InChI InChI=1S/C16H15ClN2O2S/c1-3-9-22-11-13-14(17)18-15(21-2)16(20)19(13)10-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3
InChIKey DKPBELMSXFHFCD-UHFFFAOYSA-N
Molecular Weight 334.821 g/mol
SMILES C=1(N(C(C(=NC1Cl)OC)=O)Cc1ccccc1)CSCC#C
SPLASH splash10-0006-9022000000-8d3f133e71c7c3d62d40
Source of Spectrum KC-60-434-11
Wiley ID 1583055