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(5R,6R)-Ethyl 2-methylthio-5-(2,6-dimethylhepta-1,5-dienyl)-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate
SpectraBase Compound ID 3iTzdSXYcMU
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-/m1/s1
InChIKey CZYUNHVYVADCBE-XMNZZIDVSA-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 6TRKqSflCTX
Name (5R,6R)-Ethyl 2-methylthio-5-(2,6-dimethylhepta-1,5-dienyl)-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-/m1/s1
InChIKey CZYUNHVYVADCBE-XMNZZIDVSA-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-5069000000-2c7dc48ae56b7b896a21
Source of Spectrum AJ-69-1053-20
Synonyms cis-Ethyl 2-methylthio-5-(2,6-dimethylhepta-1,5-dienyl)-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate Ethyl (5R,6R)-5-[(1E)-2,6-dimethyl-1,5-heptadienyl]-2-(methylsulfanyl)-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate
Wiley ID 773551