For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl ({3-[(4-chlorophenyl)sulfonyl]-2-methyl-5-nitrophenyl}sulfanyl)acetate
SpectraBase Compound ID EkpgVIoDoeU
InChI InChI=1S/C16H14ClNO6S2/c1-10-14(25-9-16(19)24-2)7-12(18(20)21)8-15(10)26(22,23)13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3
InChIKey OPIIMRKVXNXRSJ-UHFFFAOYSA-N
Mol Weight 415.86 g/mol
Molecular Formula C16H14ClNO6S2
Exact Mass 414.995107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5gKtu9UP23X
Name Methyl ({3-[(4-chlorophenyl)sulfonyl]-2-methyl-5-nitrophenyl}sulfanyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClNO6S2
InChI InChI=1S/C16H14ClNO6S2/c1-10-14(25-9-16(19)24-2)7-12(18(20)21)8-15(10)26(22,23)13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3
InChIKey OPIIMRKVXNXRSJ-UHFFFAOYSA-N
Molecular Weight 415.862 g/mol
SMILES COC(CSc1c(c(S(c2ccc(cc2)Cl)(=O)=O)cc(N(=O)=O)c1)C)=O
SPLASH splash10-0f92-9623200000-c715bb62087dc3471f23
Synonyms 2-[[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitro-phenyl]thio]acetic acid methyl ester Methyl 2-[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitro-phenyl]sulfanylacetate Methyl 2-[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitro-phenyl]sulfanylethanoate 2-[[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitrophenyl]thio]acetic acid methyl ester
Wiley ID 1463329