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1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl benzoate
SpectraBase Compound ID 9etJcnU4rZm
InChI InChI=1S/C14H15N3O4/c1-10(21-14(18)12-6-4-3-5-7-12)9-16-11(2)15-8-13(16)17(19)20/h3-8,10H,9H2,1-2H3
InChIKey VFIIIRVXUQLJGO-UHFFFAOYSA-N
Mol Weight 289.29 g/mol
Molecular Formula C14H15N3O4
Exact Mass 289.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2f3l3C03k4
Name 1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O4
InChI InChI=1S/C14H15N3O4/c1-10(21-14(18)12-6-4-3-5-7-12)9-16-11(2)15-8-13(16)17(19)20/h3-8,10H,9H2,1-2H3
InChIKey VFIIIRVXUQLJGO-UHFFFAOYSA-N
Instrument Name MAT 312 or MAT 113D
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ardp.202100376
Molecular Weight 289.291 g/mol
SMILES c1cc(ccc1)C(=O)OC(C[n]1c(cnc1C)[N+]([O-])=O)C
SPLASH splash10-0pdi-9610000000-895b2071318c86a4193a
Source of Spectrum APC-355-SM13-13
Wiley ID 1868708