| SpectraBase Spectrum ID |
73ByoEIjI8J |
| Name |
1-Methyl-3-[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate |
| Alternate Name(s) |
1,3-Bis(4-nitrobenzoyloxy)butane
3-(4-nitrobenzoyl)oxybutyl 4-nitrobenzoate
3-(4-nitrophenyl)carbonyloxybutyl 4-nitrobenzoate
4-Nitrobenzoic acid 3-(4-nitrobenzoyl)oxybutyl ester
4-Nitrobenzoic acid 3-[(4-nitrophenyl)-oxomethoxy]butyl ester |
| CAS Registry Number |
212261-67-1 |
| Comments |
Note: The molecular formula of the structure shown is C18H16N2O8 - which differs from the formula reported for the mass spectrum (C18H13D3N2O8) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H13D3N2O8 |
| InChI |
InChI=1S/C18H16N2O8/c1-12(28-18(22)14-4-8-16(9-5-14)20(25)26)10-11-27-17(21)13-2-6-15(7-3-13)19(23)24/h2-9,12H,10-11H2,1H3 |
| InChIKey |
KXCKPGRAGVPNAQ-UHFFFAOYSA-N |
| Molecular Weight |
388.332 g/mol |
| SMILES |
c1c(ccc(N(=O)=O)c1)C(=O)OCCC(C)OC(=O)c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-0udi-2920000000-445e31039d621de81c36 |
| Wiley ID |
1479261 |
![1-Methyl-3-[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate](/api/spectrum/73ByoEIjI8J/structure.png?h=300&w=458 "1-Methyl-3-[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate")
