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4-[N-(t-Butoxycarbonyl)amino]-4-[(methylsulfinyl)methyl]-2,5-cyclohexadienone
SpectraBase Compound ID 6SHKjAnc4iz
InChI InChI=1S/C13H19NO4S/c1-12(2,3)18-11(16)14-13(9-19(4)17)7-5-10(15)6-8-13/h5-8H,9H2,1-4H3,(H,14,16)
InChIKey LLRFLQWNQMLDHZ-UHFFFAOYSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqsuDHGg4xk
Name 4-[N-(t-Butoxycarbonyl)amino]-4-[(methylsulfinyl)methyl]-2,5-cyclohexadienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-12(2,3)18-11(16)14-13(9-19(4)17)7-5-10(15)6-8-13/h5-8H,9H2,1-4H3,(H,14,16)
InChIKey LLRFLQWNQMLDHZ-UHFFFAOYSA-N
Molecular Weight 285.358 g/mol
SMILES N(C1(C=CC(C=C1)=O)CS(=O)C)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9610000000-a7c56f46db89456edc78
Source of Spectrum QE-14-633-54
Wiley ID 1691857