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3-{4'-[(Naphthalen-2''-yl)methyl]-1',1',3'-trioxo-1-.lambda( 6).,2,5-thiadiazolan-2'-yl]-2,2-dimethylpropanoic acid
SpectraBase Compound ID 5Zn4K3vzyxs
InChI InChI=1S/C18H20N2O5S/c1-18(2,17(22)23)11-20-16(21)15(19-26(20,24)25)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15,19H,10-11H2,1-2H3,(H,22,23)
InChIKey VWOKSGDMLLWDNT-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C18H20N2O5S
Exact Mass 376.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JahshYy2Rj
Name 3-{4'-[(Naphthalen-2''-yl)methyl]-1',1',3'-trioxo-1-.lambda( 6).,2,5-thiadiazolan-2'-yl]-2,2-dimethylpropanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O5S
InChI InChI=1S/C18H20N2O5S/c1-18(2,17(22)23)11-20-16(21)15(19-26(20,24)25)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15,19H,10-11H2,1-2H3,(H,22,23)
InChIKey VWOKSGDMLLWDNT-UHFFFAOYSA-N
Molecular Weight 376.427 g/mol
SMILES N1C(C(N(CC(C(=O)O)(C)C)S1(=O)=O)=O)Cc1cc2ccccc2cc1
SPLASH splash10-0006-0900000000-d69000c59981a5a4531c
Source of Spectrum H-82-2446-3
Synonyms 3-{4'-[(Naphthalen-2''-yl)methyl]-1',1',3'-trioxo-1-.lambda(6)[1,2,5-thiadiazolan-2'-yl]-2,2-dimethylpropanoic acid
Wiley ID 815725