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

*Links on SpectraBase are not permalinks.

4-Nitroisothioquinanthrene

View entire compound with spectra: 1 MS (GC)

4-Nitroisothioquinanthrene
SpectraBase Compound ID 50SUDAYEi9q
InChI InChI=1S/C18H9N3O2S2/c22-21(23)13-7-3-6-12-15(13)19-9-14-16(12)25-17-11-5-2-1-4-10(11)8-20-18(17)24-14/h1-9H
InChIKey IQAFZIRMOOHNAP-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C18H9N3O2S2
Exact Mass 363.013619 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 6AnR439l6qv
Name 4-Nitroisothioquinanthrene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H9N3O2S2
InChI InChI=1S/C18H9N3O2S2/c22-21(23)13-7-3-6-12-15(13)19-9-14-16(12)25-17-11-5-2-1-4-10(11)8-20-18(17)24-14/h1-9H
InChIKey IQAFZIRMOOHNAP-UHFFFAOYSA-N
Molecular Weight 363.409 g/mol
SMILES c12Sc3c(Sc2cnc2c(N(=O)=O)cccc12)ncc1c3cccc1
SPLASH splash10-03di-0009000000-4862c1ba31b6d2f6c5b4
Source of Spectrum O1-60-1398-8
Wiley ID 1592075