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3,5-Dimethyl-4-nitrobenzyl benzoate
SpectraBase Compound ID K6qoKiq53DN
InChI InChI=1S/C16H15NO4/c1-11-8-13(9-12(2)15(11)17(19)20)10-21-16(18)14-6-4-3-5-7-14/h3-9H,10H2,1-2H3
InChIKey KCQCEOIBHFFCEK-UHFFFAOYSA-N
Mol Weight 285.3 g/mol
Molecular Formula C16H15NO4
Exact Mass 285.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZGvCEcwm55
Name 3,5-Dimethyl-4-nitrobenzyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO4
InChI InChI=1S/C16H15NO4/c1-11-8-13(9-12(2)15(11)17(19)20)10-21-16(18)14-6-4-3-5-7-14/h3-9H,10H2,1-2H3
InChIKey KCQCEOIBHFFCEK-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 285.299 g/mol
SMILES c1([N+]([O-])=O)c(C)cc(cc1C)COC(=O)c1ccccc1
SPLASH splash10-0a4i-5900000000-c4a8f63e01bbb1417092
Source of Spectrum SRH-2022-11132-0
Wiley ID 1832737