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1-Methyl-3-[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate
SpectraBase Compound ID 5VXES1Vn84v
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
Mol Weight 388.33 g/mol
Molecular Formula C18H16N2O8
Exact Mass 388.090665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OUjd15Owzd
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O8
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 c1cc(ccc1N(=O)=O)C(=O)OC(C)CCOC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0udi-9820000000-ba00fe436d981f6daab3
Wiley ID 1479260