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(5S,6R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-(methylthio)-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(5S,6R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-(methylthio)-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylic acid ethyl ester
SpectraBase Compound ID DUZAqkJXb5m
InChI InChI=1S/C16H26N2O2S2/c1-6-20-15(19)14-13(17-18-16(21-5)22-14)10-12(4)9-7-8-11(2)3/h8,10,13-14,17H,6-7,9H2,1-5H3/b12-10+/t13-,14+/m0/s1
InChIKey CZYUNHVYVADCBE-YVAPMFQZSA-N
Mol Weight 342.52 g/mol
Molecular Formula C16H26N2O2S2
Exact Mass 342.14357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1c9npfEgqGw
Name (5S,6R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-(methylthio)-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylic acid ethyl ester
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Formula C16H26N2O2S2
InChI InChI=1S/C16H26N2O2S2/c1-6-20-15(19)14-13(17-18-16(21-5)22-14)10-12(4)9-7-8-11(2)3/h8,10,13-14,17H,6-7,9H2,1-5H3/b12-10+/t13-,14+/m0/s1
InChIKey CZYUNHVYVADCBE-YVAPMFQZSA-N
Molecular Weight 342.516 g/mol
SMILES N1N=C(S[C@]([C@@]1(\C=C\(CCC=C(C)C)C)[H])(C(=O)OCC)[H])SC
SPLASH splash10-00kf-4029000000-d89e34768fda913723a1
Source of Spectrum AJ-69-1053-20
Synonyms Ethyl (5S,6R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methylsulfanyl-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate
Wiley ID 773552