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1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-2"-ethoxybenzoate
SpectraBase Compound ID A2alHpOtdAN
InChI InChI=1S/C16H19N3O5/c1-4-23-14-8-6-5-7-13(14)16(20)24-11(2)10-18-12(3)17-9-15(18)19(21)22/h5-9,11H,4,10H2,1-3H3
InChIKey XAOSYIAHQLUMAO-UHFFFAOYSA-N
Mol Weight 333.34 g/mol
Molecular Formula C16H19N3O5
Exact Mass 333.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGdSTbXH5eu
Name 1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-2"-ethoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O5
InChI InChI=1S/C16H19N3O5/c1-4-23-14-8-6-5-7-13(14)16(20)24-11(2)10-18-12(3)17-9-15(18)19(21)22/h5-9,11H,4,10H2,1-3H3
InChIKey XAOSYIAHQLUMAO-UHFFFAOYSA-N
Instrument Name MAT 312 or MAT 113D
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ardp.202100376
Molecular Weight 333.344 g/mol
SMILES c1(ccccc1C(=O)OC(C[n]1c(cnc1C)[N+]([O-])=O)C)OCC
SPLASH splash10-00xs-3901000000-636ea7dba9e0e13d25b1
Source of Spectrum APC-355-SM25-25
Wiley ID 1868718