| SpectraBase Spectrum ID |
G6CNo83yIPn |
| Name |
2-Phenyl-3-(2'-methylallyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.067093756 u |
| Formula |
C18H15NO5S |
| InChI |
InChI=1S/C18H15NO5S/c1-12(2)10-17-18(13-6-4-3-5-7-13)24-15-11-14(19(20)21)8-9-16(15)25(17,22)23/h3-9,11H,1,10H2,2H3 |
| InChIKey |
RRAKJAABHAZGET-UHFFFAOYSA-N |
| Molecular Weight |
357.380 g/mol |
| SMILES |
C=1(S(C2=C(OC1C=1C=CC=CC1)C=C(C=C2)[N+]([O-])=O)(=O)=O)CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844143 |
