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4-([(2Z)-5-(4-Chlorophenyl)-1,3-oxathiol-2-ylidene]amino)benzoic acid
SpectraBase Compound ID EKsaOk0oiBF
InChI InChI=1S/C16H10ClNO3S/c17-12-5-1-10(2-6-12)14-9-22-16(21-14)18-13-7-3-11(4-8-13)15(19)20/h1-9H,(H,19,20)/b18-16-
InChIKey NQYAGZMTAQLAHO-VLGSPTGOSA-N
Mol Weight 331.77 g/mol
Molecular Formula C16H10ClNO3S
Exact Mass 331.006992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTq5a23gKat
Name 4-([(2Z)-5-(4-Chlorophenyl)-1,3-oxathiol-2-ylidene]amino)benzoic acid
CAS Registry Number 309740-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClNO3S
InChI InChI=1S/C16H10ClNO3S/c17-12-5-1-10(2-6-12)14-9-22-16(21-14)18-13-7-3-11(4-8-13)15(19)20/h1-9H,(H,19,20)/b18-16-
InChIKey NQYAGZMTAQLAHO-VLGSPTGOSA-N
Molecular Weight 331.773 g/mol
SMILES OC(c1ccc(\N=C\2OC(c3ccc(cc3)Cl)=CS2)cc1)=O
SPLASH splash10-000i-3901000000-770f07a4d6452d3e9c70
Source of Spectrum AD-0-2532-0
Synonyms Benzoic acid, 4-[5-(4-chlorophenyl)-2-oxathiolylidenamino]-
Wiley ID 1432479