For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-4"-tert-butylbenzoate
SpectraBase Compound ID CPYP8Y3ul7t
InChI InChI=1S/C18H23N3O4/c1-12(11-20-13(2)19-10-16(20)21(23)24)25-17(22)14-6-8-15(9-7-14)18(3,4)5/h6-10,12H,11H2,1-5H3
InChIKey HSHLZGWFWNKPDG-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C18H23N3O4
Exact Mass 345.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6gEhjidEsjU
Name 1-(2'-Methyl-5'-nitro-1'H-imidazol-1'-yl)propan-2-yl-4"-tert-butylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O4
InChI InChI=1S/C18H23N3O4/c1-12(11-20-13(2)19-10-16(20)21(23)24)25-17(22)14-6-8-15(9-7-14)18(3,4)5/h6-10,12H,11H2,1-5H3
InChIKey HSHLZGWFWNKPDG-UHFFFAOYSA-N
Instrument Name MAT 312 or MAT 113D
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ardp.202100376
Molecular Weight 345.399 g/mol
SMILES c1cc(ccc1C(=O)OC(C[n]1c(cnc1C)[N+]([O-])=O)C)C(C)(C)C
SPLASH splash10-01ot-3930000000-95323c69b280c26e4ef1
Source of Spectrum APC-355-SM17-17
Wiley ID 1868711