| SpectraBase Spectrum ID |
21x4G67H43y |
| Name |
2-Nitro-4-[4-(3-nitro-4-oxidanyl-phenyl)hexan-3-yl]phenol |
| CAS Registry Number |
41172-51-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20N2O6 |
| InChI |
InChI=1S/C18H20N2O6/c1-3-13(11-5-7-17(21)15(9-11)19(23)24)14(4-2)12-6-8-18(22)16(10-12)20(25)26/h5-10,13-14,21-22H,3-4H2,1-2H3 |
| InChIKey |
BXTFSGKMQHFUMN-UHFFFAOYSA-N |
| Molecular Weight |
360.366 g/mol |
| SMILES |
Oc1c(cc(C(C(c2cc(c(cc2)O)N(=O)=O)CC)CC)cc1)N(=O)=O |
| SPLASH |
splash10-0ke9-9700000000-9805206ad11fdbeb6270 |
| Source of Spectrum |
J-8-3532-41 |
| Synonyms |
4-[1-ethyl-2-(4-hydroxy-3-nitro-phenyl)butyl]-2-nitro-phenol
4-[4-(4-hydroxy-3-nitrophenyl)hexan-3-yl]-2-nitrophenol |
| Wiley ID |
1348202 |
![2-Nitro-4-[4-(3-nitro-4-oxidanyl-phenyl)hexan-3-yl]phenol](/api/spectrum/21x4G67H43y/structure.png?h=300&w=458 "2-Nitro-4-[4-(3-nitro-4-oxidanyl-phenyl)hexan-3-yl]phenol")
