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Methyl 2-[(2,4-dinitrophenyl)sulfanyl]benzoate
SpectraBase Compound ID LEYb1vWsb0h
InChI InChI=1S/C14H10N2O6S/c1-22-14(17)10-4-2-3-5-12(10)23-13-7-6-9(15(18)19)8-11(13)16(20)21/h2-8H,1H3
InChIKey DBXRYSZCLCCBHH-UHFFFAOYSA-N
Mol Weight 334.3 g/mol
Molecular Formula C14H10N2O6S
Exact Mass 334.025957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4QdRAmF0kY
Name Methyl 2-[(2,4-dinitrophenyl)sulfanyl]benzoate
Alternate Name(s) 2-[(2,4-dinitrophenyl)thio]benzoic acid methyl ester Benzoic acid, 2-(2,4-dinitrophenylthio)-, methyl ester
CAS Registry Number 309253-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N2O6S
InChI InChI=1S/C14H10N2O6S/c1-22-14(17)10-4-2-3-5-12(10)23-13-7-6-9(15(18)19)8-11(13)16(20)21/h2-8H,1H3
InChIKey DBXRYSZCLCCBHH-UHFFFAOYSA-N
Molecular Weight 334.302 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)ccc1Sc1c(C(=O)OC)cccc1
SPLASH splash10-0fri-5920000000-8308eaf7265929c0a035
Source of Spectrum AD-0-2532-0
Wiley ID 1431499