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3-Ethyl-1,2,3,4-tetrahydro-1-methyl-2,4-dioxoquinolin-3-yl Thiocyanate
SpectraBase Compound ID HzmlzRM82p4
InChI InChI=1S/C13H12N2O2S/c1-3-13(18-8-14)11(16)9-6-4-5-7-10(9)15(2)12(13)17/h4-7H,3H2,1-2H3
InChIKey CXYWVUUJFMFRSQ-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C13H12N2O2S
Exact Mass 260.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjSodmtxxNN
Name 3-Ethyl-1,2,3,4-tetrahydro-1-methyl-2,4-dioxoquinolin-3-yl Thiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2S
InChI InChI=1S/C13H12N2O2S/c1-3-13(18-8-14)11(16)9-6-4-5-7-10(9)15(2)12(13)17/h4-7H,3H2,1-2H3
InChIKey CXYWVUUJFMFRSQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200049
Molecular Weight 260.311 g/mol
SMILES C1(N(c2ccccc2C(C1(CC)SC#N)=O)C)=O
SPLASH splash10-0gw0-6920000000-107652fc3e174d73c341
Source of Spectrum H-95-1363-2f
Synonyms 3-Ethyl-1-methyl-3-thiocyanatoquinoline-2,4(1H,3H)-dione
Wiley ID 1784435