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4-(4-nitrobenzoyl)oxybutyl 4-nitrobenzoate
SpectraBase Compound ID AsEQXPtUBtJ
InChI InChI=1S/C18H16N2O8/c21-17(13-3-7-15(8-4-13)19(23)24)27-11-1-2-12-28-18(22)14-5-9-16(10-6-14)20(25)26/h3-10H,1-2,11-12H2
InChIKey ICIXGKLFLPIZAO-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 48k9xcXhCyN
Name 4-(4-nitrobenzoyl)oxybutyl 4-nitrobenzoate
Alternate Name(s) 4-(4-nitrophenyl)carbonyloxybutyl 4-nitrobenzoate 4-Nitrobenzoic acid 4-(4-nitrobenzoyl)oxybutyl ester 4-Nitrobenzoic acid 4-[(4-nitrophenyl)-oxomethoxy]butyl ester
CAS Registry Number 54900-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O8
InChI InChI=1S/C18H16N2O8/c21-17(13-3-7-15(8-4-13)19(23)24)27-11-1-2-12-28-18(22)14-5-9-16(10-6-14)20(25)26/h3-10H,1-2,11-12H2
InChIKey ICIXGKLFLPIZAO-UHFFFAOYSA-N
Molecular Weight 388.332 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)OCCCCOC(c2ccc(N(=O)=O)cc2)=O)cc1
SPLASH splash10-0udi-8910000000-a09e118a8ecc73627e88
Wiley ID 1485658