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[1-(4-nitrobenzoyl)-2-piperidyl]methyl 4-nitrobenzoate
SpectraBase Compound ID 3noqAFuls0r
InChI InChI=1S/C20H19N3O7/c24-19(14-4-8-16(9-5-14)22(26)27)21-12-2-1-3-18(21)13-30-20(25)15-6-10-17(11-7-15)23(28)29/h4-11,18H,1-3,12-13H2
InChIKey QOKRXACFYBRINC-UHFFFAOYSA-N
Mol Weight 413.39 g/mol
Molecular Formula C20H19N3O7
Exact Mass 413.1223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EUkJRWkAC
Name [1-(4-nitrobenzoyl)-2-piperidyl]methyl 4-nitrobenzoate
Alternate Name(s) [1-(4-nitrobenzoyl)piperidin-2-yl]methyl 4-nitrobenzoate [1-(4-nitrophenyl)carbonylpiperidin-2-yl]methyl 4-nitrobenzoate 4-Nitrobenzoic acid [1-[(4-nitrophenyl)-oxomethyl]-2-piperidinyl]methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O7
InChI InChI=1S/C20H19N3O7/c24-19(14-4-8-16(9-5-14)22(26)27)21-12-2-1-3-18(21)13-30-20(25)15-6-10-17(11-7-15)23(28)29/h4-11,18H,1-3,12-13H2
InChIKey QOKRXACFYBRINC-UHFFFAOYSA-N
Molecular Weight 413.386 g/mol
SMILES C(N1C(COC(c2ccc(N(=O)=O)cc2)=O)CCCC1)(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0f89-0790000000-a41f95702c08ce155da1
Source of Spectrum J-61-5269-2
Wiley ID 1374970