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(Z)-(3S)-3-(tert-Butoxycarbonylamino)-1-(4'-tolylthio)-1-nitrobut-1-ene
SpectraBase Compound ID 31MIlxhSXAY
InChI InChI=1S/C16H22N2O4S/c1-11-6-8-13(9-7-11)23-14(18(20)21)10-12(2)17-15(19)22-16(3,4)5/h6-10,12H,1-5H3,(H,17,19)/b14-10-/t12-/m0/s1
InChIKey BKCDWNOUTXRDBB-GVIGZQTCSA-N
Mol Weight 338.42 g/mol
Molecular Formula C16H22N2O4S
Exact Mass 338.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F41ggYXg24D
Name (Z)-(3S)-3-(tert-Butoxycarbonylamino)-1-(4'-tolylthio)-1-nitrobut-1-ene
Alternate Name(s) tert-Butyl (1S,2Z)-1-methyl-3-[(4-methylphenyl)sulfanyl]-3-nitro-2-propenylcarbamate N-[(Z,2S)-4-[(4-methylphenyl)thio]-4-nitrobut-3-en-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[(Z,2S)-4-(4-methylphenyl)sulfanyl-4-nitrobut-3-en-2-yl]carbamate tert-Butyl N-[(Z,1S)-1-methyl-3-nitro-3-(p-tolylsulfanyl)allyl]carbamate tert-Butyl N-[(Z,2S)-4-(4-methylphenyl)sulfanyl-4-nitro-but-3-en-2-yl]carbamate
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Formula C16H22N2O4S
InChI InChI=1S/C16H22N2O4S/c1-11-6-8-13(9-7-11)23-14(18(20)21)10-12(2)17-15(19)22-16(3,4)5/h6-10,12H,1-5H3,(H,17,19)/b14-10-/t12-/m0/s1
InChIKey BKCDWNOUTXRDBB-GVIGZQTCSA-N
Molecular Weight 338.422 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](\C=C\(N(=O)=O)Sc1ccc(cc1)C)(C)[H]
SPLASH splash10-006x-9500000000-c8a0811b82ad82eddf77
Source of Spectrum CV-2002-2302-9
Wiley ID 1610368