| SpectraBase Spectrum ID |
DfjMUboEEnb |
| Name |
1,4-Benzenedicarboxylic acid, 2-(hexylthio)-5-nitro- |
| Alternate Name(s) |
2-(hexylthio)-5-nitroterephthalic acid
2-(hexylsulfanyl)-5-nitrobenzene-1,4-dicarboxylic acid
2-Hexylsulfanyl-5-nitroterephthalic acid
2-Hexylsulfanyl-5-nitro-terephthalic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17NO6S |
| InChI |
InChI=1S/C14H17NO6S/c1-2-3-4-5-6-22-12-8-9(13(16)17)11(15(20)21)7-10(12)14(18)19/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19) |
| InChIKey |
RAGHTDVMEWIUHX-UHFFFAOYSA-N |
| Molecular Weight |
327.351 g/mol |
| SMILES |
OC(c1cc(c(C(O)=O)cc1[N+]([O-])=O)SCCCCCC)=O |
| SPLASH |
splash10-002f-9330000000-05c49d036f6f8ab11593 |
| Source of Spectrum |
JX-2015-3-461 |
| Wiley ID |
1724027 |
