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 |