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2-[[(E)-(2-ketoacenaphthen-1-ylidene)-(methylthio)methyl]amino]acetic acid ethyl ester
SpectraBase Compound ID 2ATxGWR3DYc
InChI InChI=1S/C18H17NO3S/c1-3-22-14(20)10-19-18(23-2)16-12-8-4-6-11-7-5-9-13(15(11)12)17(16)21/h4-9,19H,3,10H2,1-2H3/b18-16+
InChIKey OCDWOVMWRODNOX-FBMGVBCBSA-N
Mol Weight 327.4 g/mol
Molecular Formula C18H17NO3S
Exact Mass 327.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iwmu7mod2zB
Name 2-[[(E)-(2-ketoacenaphthen-1-ylidene)-(methylthio)methyl]amino]acetic acid ethyl ester
Alternate Name(s) 2-[[(E)-(methylthio)-(2-oxo-1-acenaphthylenylidene)methyl]amino]acetic acid ethyl ester ethyl 2-[[(E)-methylsulfanyl-(2-oxidanylideneacenaphthylen-1-ylidene)methyl]amino]ethanoate ethyl 2-[[(E)-methylsulfanyl-(2-oxoacenaphthylen-1-ylidene)methyl]amino]acetate
Comments Less than 3 mono-isotopic peaks
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Formula C18H17NO3S
InChI InChI=1S/C18H17NO3S/c1-3-22-14(20)10-19-18(23-2)16-12-8-4-6-11-7-5-9-13(15(11)12)17(16)21/h4-9,19H,3,10H2,1-2H3/b18-16+
InChIKey OCDWOVMWRODNOX-FBMGVBCBSA-N
Molecular Weight 327.398 g/mol
SMILES N(\C(=C/1C(c2cccc3c2c1ccc3)=O)SC)CC(=O)OCC
SPLASH splash10-004i-0009000000-70f570ad9f8c12e58340
Source of Spectrum H-2005-2053-29
Wiley ID 1562728