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TIENILIC ACID
SpectraBase Compound ID 1zn1uLHFFW
InChI InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)
InChIKey AGHANLSBXUWXTB-UHFFFAOYSA-N
Mol Weight 331.17 g/mol
Molecular Formula C13H8Cl2O4S
Exact Mass 329.952035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsMECHWU7T7
Name TIENILIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H8Cl2O4S
InChI InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)
InChIKey AGHANLSBXUWXTB-UHFFFAOYSA-N
Instrument Name GC
Molecular Weight 331.169 g/mol
SMILES OC(=O)COc1c(Cl)c(Cl)c(cc1)C(=O)c1cccs1
SPLASH splash10-03di-6920000000-f0417ab9fb5ff2c7f9f9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany