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

*Links on SpectraBase are not permalinks.
3-Isobutyl-8-(4-nitrophenyl)-5-nitro-3H-imidazo[4,5-e]-[2,1]benzoxazole
SpectraBase Compound ID JFV5dS4LbL6
InChI InChI=1S/C18H15N5O5/c1-10(2)8-21-9-19-16-13(21)7-14(23(26)27)17-15(16)18(28-20-17)11-3-5-12(6-4-11)22(24)25/h3-7,9-10H,8H2,1-2H3
InChIKey HJZHHRVYZHOMDE-UHFFFAOYSA-N
Mol Weight 381.35 g/mol
Molecular Formula C18H15N5O5
Exact Mass 381.107319 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 L8eaYajYJNS
Name 3-Isobutyl-8-(4-nitrophenyl)-5-nitro-3H-imidazo[4,5-e]-[2,1]benzoxazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N5O5
InChI InChI=1S/C18H15N5O5/c1-10(2)8-21-9-19-16-13(21)7-14(23(26)27)17-15(16)18(28-20-17)11-3-5-12(6-4-11)22(24)25/h3-7,9-10H,8H2,1-2H3
InChIKey HJZHHRVYZHOMDE-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1796-0
Molecular Weight 381.348 g/mol
SMILES CC(C[n]1c2c(nc1)c1c(c([N+]([O-])=O)c2)noc1-c1ccc([N+]([O-])=O)cc1)C
SPLASH splash10-000f-9065000000-62cddf76a148bca67946
Source of Spectrum HC-51-922-4e
Synonyms 3-isobutyl-5-nitro-8-(4-nitrophenyl)-3H-imidazo[4',5':3,4]benzo[1,2-c]isoxazole
Wiley ID 1800730