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1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-2-(4-isobutylphenyl)propanoate
SpectraBase Compound ID Ah3I1eqqxrK
InChI InChI=1S/C20H27N3O4/c1-13(2)10-17-6-8-18(9-7-17)15(4)20(24)27-14(3)12-22-16(5)21-11-19(22)23(25)26/h6-9,11,13-15H,10,12H2,1-5H3
InChIKey ZJPLSIBPIDMGEF-UHFFFAOYSA-N
Mol Weight 373.45 g/mol
Molecular Formula C20H27N3O4
Exact Mass 373.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uWAR8vPVDY
Name 1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-2-(4-isobutylphenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O4
InChI InChI=1S/C20H27N3O4/c1-13(2)10-17-6-8-18(9-7-17)15(4)20(24)27-14(3)12-22-16(5)21-11-19(22)23(25)26/h6-9,11,13-15H,10,12H2,1-5H3
InChIKey ZJPLSIBPIDMGEF-UHFFFAOYSA-N
Instrument Name MAT 312 or MAT 113D
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ardp.202100376
Molecular Weight 373.453 g/mol
SMILES C(C(=O)OC(C[n]1c(cnc1C)[N+]([O-])=O)C)(C)c1ccc(cc1)CC(C)C
SPLASH splash10-02ai-2923000000-c01e2298a447ddcd38b9
Source of Spectrum APC-355-SM16-16
Wiley ID 1868710