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3-(Methylthiomethyl)-5-(3-nitrophenyl)isoxazoline
SpectraBase Compound ID 4R6GIGII60T
InChI InChI=1S/C11H12N2O3S/c1-17-7-9-6-11(16-12-9)8-3-2-4-10(5-8)13(14)15/h2-5,11H,6-7H2,1H3
InChIKey PIZQXXYKTMBEFH-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C11H12N2O3S
Exact Mass 252.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxFOQTi4DUh
Name 3-(Methylthiomethyl)-5-(3-nitrophenyl)isoxazoline
Alternate Name(s) 3-[(methylsulfanyl)methyl]-5-(3-nitrophenyl)-4,5-dihydroisoxazole Methyl[5-(3-nitrophenyl)-4,5-dihydro-3-isoxazolyl]methyl sulfide
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Formula C11H12N2O3S
InChI InChI=1S/C11H12N2O3S/c1-17-7-9-6-11(16-12-9)8-3-2-4-10(5-8)13(14)15/h2-5,11H,6-7H2,1H3
InChIKey PIZQXXYKTMBEFH-UHFFFAOYSA-N
Molecular Weight 252.288 g/mol
SMILES C1(=NOC(C1)c1cc(ccc1)N(=O)=O)CSC
SPLASH splash10-03di-9400000000-c5dafe5e3a10d1a54885
Source of Spectrum Y1-32-473-17
Wiley ID 1526034