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4,4'-dithiobis[3-nitrobenzoic acid[, dimethyl ester
SpectraBase Compound ID G9O6p3FgzqP
InChI InChI=1S/C16H12N2O8S2/c1-25-15(19)9-3-5-13(11(7-9)17(21)22)27-28-14-6-4-10(16(20)26-2)8-12(14)18(23)24/h3-8H,1-2H3
InChIKey UYYXQLZKGJWXIQ-UHFFFAOYSA-N
Mol Weight 424.4 g/mol
Molecular Formula C16H12N2O8S2
Exact Mass 424.003508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7g2HW2CyBVn
Name 4-[(4-carbomethoxy-2-nitro-phenyl)disulfanyl]-3-nitro-benzoic acid methyl ester
Alternate Name(s) 4-[(4-methoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid methyl ester Methyl 4-[(4-methoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoate NSC 158411
CAS Registry Number 35350-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O8S2
InChI InChI=1S/C16H12N2O8S2/c1-25-15(19)9-3-5-13(11(7-9)17(21)22)27-28-14-6-4-10(16(20)26-2)8-12(14)18(23)24/h3-8H,1-2H3
InChIKey UYYXQLZKGJWXIQ-UHFFFAOYSA-N
Molecular Weight 424.398 g/mol
SMILES c1(N(=O)=O)c(SSc2c(N(=O)=O)cc(C(OC)=O)cc2)ccc(c1)C(OC)=O
SPLASH splash10-03di-4983400000-8dc6a582771c30d10e78
Source of Spectrum H-59-865-0
Wiley ID 1379073