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3-{4'-[(Naphthalen-2''-yl)methyl]1',1',3'-trioxo-1-.9lambda( 6).,2,5-thiadiazolan-2'-yl]-propanoic acid
SpectraBase Compound ID 8siq6YWNHgb
InChI InChI=1S/C16H16N2O5S/c19-15(20)7-8-18-16(21)14(17-24(18,22)23)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14,17H,7-8,10H2,(H,19,20)
InChIKey JRWIQNDNXNQMRD-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjuIPDoKgUt
Name 3-{4'-[(Naphthalen-2''-yl)methyl]1',1',3'-trioxo-1-.9lambda( 6).,2,5-thiadiazolan-2'-yl]-propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c19-15(20)7-8-18-16(21)14(17-24(18,22)23)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14,17H,7-8,10H2,(H,19,20)
InChIKey JRWIQNDNXNQMRD-UHFFFAOYSA-N
Molecular Weight 348.373 g/mol
SMILES N1C(C(N(CCC(=O)O)S1(=O)=O)=O)Cc1cc2ccccc2cc1
SPLASH splash10-0006-0900000000-36e7857aa61a67e7831b
Source of Spectrum H-82-2446-3
Wiley ID 815726