| SpectraBase Spectrum ID |
47Gzxs8II2T |
| Name |
1-Nitroisothioquinanthrene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H9N3O2S2 |
| InChI |
InChI=1S/C18H9N3O2S2/c22-21(23)13-7-3-6-12-15(13)17-14(9-19-12)24-18-16(25-17)11-5-2-1-4-10(11)8-20-18/h1-9H |
| InChIKey |
UQDDMJKGVGKNMY-UHFFFAOYSA-N |
| Molecular Weight |
363.409 g/mol |
| SMILES |
c12Sc3c4c(cccc4)cnc3Sc1cnc1c2c(N(=O)=O)ccc1 |
| SPLASH |
splash10-03xr-0009000000-3c2228afb77cd3b507de |
| Source of Spectrum |
O1-60-1398-8 |
| Wiley ID |
1592076 |
