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Methyl 2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzoate
SpectraBase Compound ID MHpATnF5o9
InChI InChI=1S/C14H10ClNO4S/c1-20-14(17)12-8-10(16(18)19)4-7-13(12)21-11-5-2-9(15)3-6-11/h2-8H,1H3
InChIKey WDGBOCCIFICYOV-UHFFFAOYSA-N
Mol Weight 323.75 g/mol
Molecular Formula C14H10ClNO4S
Exact Mass 323.001907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B98mlZDiOkl
Name Methyl 2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzoate
CAS Registry Number 108474-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10ClNO4S
InChI InChI=1S/C14H10ClNO4S/c1-20-14(17)12-8-10(16(18)19)4-7-13(12)21-11-5-2-9(15)3-6-11/h2-8H,1H3
InChIKey WDGBOCCIFICYOV-UHFFFAOYSA-N
Molecular Weight 323.750 g/mol
SMILES c1(c(Sc2ccc(cc2)Cl)ccc(N(=O)=O)c1)C(=O)OC
SPLASH splash10-00di-5955000000-d80973339602fef4d38d
Source of Spectrum AD-0-2532-0
Synonyms 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid methyl ester Methyl 2-[(4-chlorophenyl)thio]-5-nitrobenzoate 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid methyl ester Methyl 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate
Wiley ID 1433132