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1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-4"-methoxybenzoate
SpectraBase Compound ID OgkiCVX4Sz
InChI InChI=1S/C15H17N3O5/c1-10(9-17-11(2)16-8-14(17)18(20)21)23-15(19)12-4-6-13(22-3)7-5-12/h4-8,10H,9H2,1-3H3
InChIKey JAKUPNFBJQASNP-UHFFFAOYSA-N
Mol Weight 319.32 g/mol
Molecular Formula C15H17N3O5
Exact Mass 319.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zrmAAwk32n
Name 1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-4"-methoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17N3O5
InChI InChI=1S/C15H17N3O5/c1-10(9-17-11(2)16-8-14(17)18(20)21)23-15(19)12-4-6-13(22-3)7-5-12/h4-8,10H,9H2,1-3H3
InChIKey JAKUPNFBJQASNP-UHFFFAOYSA-N
Instrument Name MAT 312 or MAT 113D
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ardp.202100376
Molecular Weight 319.317 g/mol
SMILES c1cc(ccc1C(=O)OC(C[n]1c(cnc1C)[N+]([O-])=O)C)OC
SPLASH splash10-000i-3920000000-c4f645af9ed539410b24
Source of Spectrum APC-355-SM20-20
Wiley ID 1868714