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1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-4"-butoxybenzoate
SpectraBase Compound ID 1pUNLlnnDZb
InChI InChI=1S/C18H23N3O5/c1-4-5-10-25-16-8-6-15(7-9-16)18(22)26-13(2)12-20-14(3)19-11-17(20)21(23)24/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKey SYFVPNYDUKZHFK-UHFFFAOYSA-N
Mol Weight 361.4 g/mol
Molecular Formula C18H23N3O5
Exact Mass 361.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYomqenAtQA
Name 1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-4"-butoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O5
InChI InChI=1S/C18H23N3O5/c1-4-5-10-25-16-8-6-15(7-9-16)18(22)26-13(2)12-20-14(3)19-11-17(20)21(23)24/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKey SYFVPNYDUKZHFK-UHFFFAOYSA-N
Instrument Name MAT 312 or MAT 113D
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ardp.202100376
Molecular Weight 361.398 g/mol
SMILES c1cc(ccc1C(=O)OC(C[n]1c(cnc1C)[N+]([O-])=O)C)OCCCC
SPLASH splash10-00b9-1901000000-6a834d07a6a11d12fb57
Source of Spectrum APC-355-SM26-26
Wiley ID 1868719