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Ethyl 4-methylthio-3-thia-5,6-diazo-9,13-dimethyltetradeca-4,6,8,12-tetraenoate

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Ethyl 4-methylthio-3-thia-5,6-diazo-9,13-dimethyltetradeca-4,6,8,12-tetraenoate
SpectraBase Compound ID F4lO4vil9c1
InChI InChI=1S/C16H26N2O2S2/c1-6-20-15(19)12-22-16(21-5)18-17-11-10-14(4)9-7-8-13(2)3/h8,10-11H,6-7,9,12H2,1-5H3/b14-10+,17-11+,18-16-
InChIKey DTDSKQKBKWTOAH-NBVLBSTISA-N
Mol Weight 342.52 g/mol
Molecular Formula C16H26N2O2S2
Exact Mass 342.14357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38jxD9VRBvO
Name Ethyl 4-methylthio-3-thia-5,6-diazo-9,13-dimethyltetradeca-4,6,8,12-tetraenoate
Comments Computed using HOSE algorithm
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Exact Mass 342.143570431 u
Formula C16H26N2O2S2
InChI InChI=1S/C16H26N2O2S2/c1-6-20-15(19)12-22-16(21-5)18-17-11-10-14(4)9-7-8-13(2)3/h8,10-11H,6-7,9,12H2,1-5H3/b14-10+,17-11+,18-16-
InChIKey DTDSKQKBKWTOAH-NBVLBSTISA-N
Molecular Weight 342.516 g/mol
SMILES C(\C(=C\C=N\N=C/(SCC(=O)OCC)SC)C)CC=C(C)C