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N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]acetamide
SpectraBase Compound ID HJbJ1k7LwmP
InChI InChI=1S/C17H17N3O5S/c1-3-10-26-15-9-5-8-14(20(24)25)17(15)16-12(18-11(2)21)6-4-7-13(16)19(22)23/h4-9H,3,10H2,1-2H3,(H,18,21)
InChIKey SHVDOBMCBJKMJZ-UHFFFAOYSA-N
Mol Weight 375.4 g/mol
Molecular Formula C17H17N3O5S
Exact Mass 375.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4srlvBFFrSW
Name N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]acetamide
Comments Less than 3 mono-isotopic peaks
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Formula C17H17N3O5S
InChI InChI=1S/C17H17N3O5S/c1-3-10-26-15-9-5-8-14(20(24)25)17(15)16-12(18-11(2)21)6-4-7-13(16)19(22)23/h4-9H,3,10H2,1-2H3,(H,18,21)
InChIKey SHVDOBMCBJKMJZ-UHFFFAOYSA-N
Molecular Weight 375.399 g/mol
SMILES N(c1c(-c2c(N(=O)=O)cccc2SCCC)c(N(=O)=O)ccc1)C(=O)C
SPLASH splash10-0002-0090000000-96d3bed2f68db66fda94
Source of Spectrum J-65-6396-8
Synonyms N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]ethanamide N-[3-nitro-2-[2-nitro-6-(propylthio)phenyl]phenyl]acetamide
Wiley ID 1533250