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N-[(Toluene-4-sulfonyl)-(3,4-dimethoxy-5nitrophenyl)methyl]formamide
SpectraBase Compound ID HHk3E2DzqAD
InChI InChI=1S/C17H18N2O7S/c1-11-4-6-13(7-5-11)27(23,24)17(18-10-20)12-8-14(19(21)22)16(26-3)15(9-12)25-2/h4-10,17H,1-3H3,(H,18,20)
InChIKey WGNHWXBNHSHTEL-UHFFFAOYSA-N
Mol Weight 394.4 g/mol
Molecular Formula C17H18N2O7S
Exact Mass 394.083472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiAEKWHXm2W
Name N-[(Toluene-4-sulfonyl)-(3,4-dimethoxy-5nitrophenyl)methyl]formamide
Appearance Colorless solid
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Formula C17H18N2O7S
InChI InChI=1S/C17H18N2O7S/c1-11-4-6-13(7-5-11)27(23,24)17(18-10-20)12-8-14(19(21)22)16(26-3)15(9-12)25-2/h4-10,17H,1-3H3,(H,18,20)
InChIKey WGNHWXBNHSHTEL-UHFFFAOYSA-N
Instrument Name VARIAN MAT 311A
Ionization Type EI
Molecular Weight 394.398 g/mol
SMILES N(C=O)C(S(c1ccc(C)cc1)(=O)=O)c1cc([N+]([O-])=O)c(OC)c(OC)c1
SPLASH splash10-00kf-9000000000-049c3a12c82832d41953
Source of Spectrum CN102985410A
Wiley ID 1847157