SpectraBase Compound ID | AM8b6oxjbVr |
---|---|
InChI | InChI=1S/C11H13NO4S2/c1-3-17-7-5-8(11(13)14)10(12(15)16)9(6-7)18-4-2/h5-6H,3-4H2,1-2H3,(H,13,14) |
InChIKey | HWHFJPZKYAJYBC-UHFFFAOYSA-N |
Mol Weight | 287.35 g/mol |
Molecular Formula | C11H13NO4S2 |
Exact Mass | 287.0286 g/mol |
SpectraBase Spectrum ID | B3YfMdOr3GS |
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Name | 3,5-Bis(ethylthio)-2-nitrobenzoic acid |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C11H13NO4S2 |
InChI | InChI=1S/C11H13NO4S2/c1-3-17-7-5-8(11(13)14)10(12(15)16)9(6-7)18-4-2/h5-6H,3-4H2,1-2H3,(H,13,14) |
InChIKey | HWHFJPZKYAJYBC-UHFFFAOYSA-N |
Molecular Weight | 287.348 g/mol |
SMILES | OC(c1c(c(cc(SCC)c1)SCC)[N+]([O-])=O)=O |
SPLASH | splash10-004j-5910000000-5c0af56c828286f9b9c9 |
Source of Spectrum | JX-2015-2-1162 |
Wiley ID | 1722825 |