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[1,4]-Naphthoquinone O-methylthiomethyl oxime oxime
SpectraBase Compound ID 76firIofq7y
InChI InChI=1S/C12H12N2O2S/c1-17-8-16-14-12-7-6-11(13-15)9-4-2-3-5-10(9)12/h2-7,15H,8H2,1H3/b13-11+,14-12+
InChIKey OBODZLIKJPHISR-PHEQNACWSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkEGDSNj5nN
Name [1,4]-Naphthoquinone O-methylthiomethyl oxime oxime
Alternate Name(s) (1E,4E)-1,4-naphthalenedione 1-{O-[(methylsulfanyl)methyl]oxime} 4-oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-17-8-16-14-12-7-6-11(13-15)9-4-2-3-5-10(9)12/h2-7,15H,8H2,1H3/b13-11+,14-12+
InChIKey OBODZLIKJPHISR-PHEQNACWSA-N
Molecular Weight 248.300 g/mol
SMILES O\N=C\1c2c(\C(C=C1)=N\OCSC)cccc2
SPLASH splash10-03di-9210000000-7c09c0ef1d09e076f293
Source of Spectrum AT-41-455-3
Wiley ID 854754