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1-(benzyl)-5-chloro-3-methoxy-6-(propargylsulfonylmethyl)pyrazin-2-one
SpectraBase Compound ID 8dAOoU9hdV9
InChI InChI=1S/C16H15ClN2O4S/c1-3-9-24(21,22)11-13-14(17)18-15(23-2)16(20)19(13)10-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3
InChIKey NBNVAVDBZARUHR-UHFFFAOYSA-N
Mol Weight 366.82 g/mol
Molecular Formula C16H15ClN2O4S
Exact Mass 366.044106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CODHfMSbPG
Name 1-Benzyl-5-chloro-3-methoxy-6-(prop-2-ynylsulfonylmethyl)pyrazin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN2O4S
InChI InChI=1S/C16H15ClN2O4S/c1-3-9-24(21,22)11-13-14(17)18-15(23-2)16(20)19(13)10-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3
InChIKey NBNVAVDBZARUHR-UHFFFAOYSA-N
Molecular Weight 366.819 g/mol
SMILES C=1(N(C(=O)C(=NC1Cl)OC)Cc1ccccc1)CS(=O)(=O)CC#C
SPLASH splash10-01ox-9081000000-714750e7c6831c6ccd3e
Source of Spectrum KC-60-435-14
Synonyms 1-Benzyl-5-chloro-3-methoxy-6-(propargylsulfonylmethyl)pyrazin-2-one 5-Chloranyl-3-methoxy-1-(phenylmethyl)-6-(prop-2-ynylsulfonylmethyl)pyrazin-2-one 5-Chloro-3-methoxy-1-(phenylmethyl)-6-(prop-2-ynylsulfonylmethyl)-2-pyrazinone
Wiley ID 1583053