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CKGVJQRTJHDKEL-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

CKGVJQRTJHDKEL-UHFFFAOYSA-N
SpectraBase Compound ID 8a01NoJy9tM
InChI InChI=1S/C17H15N3O4S/c1-10-9-19-17(20-15(10)23-2)25(22)13-7-6-12(16(21)24-3)11-5-4-8-18-14(11)13/h4-9H,1-3H3
InChIKey CKGVJQRTJHDKEL-UHFFFAOYSA-N
Mol Weight 357.38 g/mol
Molecular Formula C17H15N3O4S
Exact Mass 357.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTpPmiWs6d1
Name 8-(4-Methoxy-5-methyl-pyrimidin-2-yl)sulfinylquinoline-5-carboxylic acid methyl ester
Alternate Name(s) 8-[(4-methoxy-5-methyl-2-pyrimidinyl)sulfinyl]-5-quinolinecarboxylic acid methyl ester Methyl 8-(4-methoxy-5-methyl-pyrimidin-2-yl)sulfinylquinoline-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3O4S
InChI InChI=1S/C17H15N3O4S/c1-10-9-19-17(20-15(10)23-2)25(22)13-7-6-12(16(21)24-3)11-5-4-8-18-14(11)13/h4-9H,1-3H3
InChIKey CKGVJQRTJHDKEL-UHFFFAOYSA-N
Molecular Weight 357.384 g/mol
SMILES c1(nc(OC)c(cn1)C)S(c1c2c(cccn2)c(cc1)C(=O)OC)=O
SPLASH splash10-0aou-0296000000-31e848f4791469b37386
Source of Spectrum Y-28-660-9
Wiley ID 1346366