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1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-3,4-dimethoxybenzoate
SpectraBase Compound ID KnZAvFyABwG
InChI InChI=1S/C16H19N3O6/c1-10(9-18-11(2)17-8-15(18)19(21)22)25-16(20)12-5-6-13(23-3)14(7-12)24-4/h5-8,10H,9H2,1-4H3
InChIKey SFCWBGHJVAJMPR-UHFFFAOYSA-N
Mol Weight 349.34 g/mol
Molecular Formula C16H19N3O6
Exact Mass 349.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD0xKlgniNm
Name 1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-3,4-dimethoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O6
InChI InChI=1S/C16H19N3O6/c1-10(9-18-11(2)17-8-15(18)19(21)22)25-16(20)12-5-6-13(23-3)14(7-12)24-4/h5-8,10H,9H2,1-4H3
InChIKey SFCWBGHJVAJMPR-UHFFFAOYSA-N
Instrument Name MAT 312 or MAT 113D
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ardp.202100376
Molecular Weight 349.343 g/mol
SMILES c1c(c(ccc1C(=O)OC(C[n]1c(cnc1C)[N+]([O-])=O)C)OC)OC
SPLASH splash10-014i-3901000000-79a586b42694b83e01fb
Source of Spectrum APC-355-SM23-23
Wiley ID 1868716