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N-(.beta.-Acetoxyethyl)-N-ethyl-3-methyl-4-(5-nitrothiazol-2-ylazo)aniline
SpectraBase Compound ID 6SP27ucURNX
InChI InChI=1S/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3/b19-18+
InChIKey HMAJVAFLGGPIPN-VHEBQXMUSA-N
Mol Weight 377.42 g/mol
Molecular Formula C16H19N5O4S
Exact Mass 377.115775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID e7Bb359ac6
Name N-(.beta.-Acetoxyethyl)-N-ethyl-3-methyl-4-(5-nitrothiazol-2-ylazo)aniline
Comments Computed using HOSE algorithm
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Exact Mass 377.115775282 u
Formula C16H19N5O4S
InChI InChI=1S/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3/b19-18+
InChIKey HMAJVAFLGGPIPN-VHEBQXMUSA-N
Molecular Weight 377.419 g/mol
SMILES C=1(SC(\N=N\C=2C(=CC(=CC2)N(CCOC(=O)C)CC)C)=NC1)N(=O)=O