| SpectraBase Spectrum ID |
DEhbrnjuyFG |
| Name |
3-Methyl-6-nitro-spiro(2H-benzo(B)pyran-2:2'-1',3'-benzodithiolane) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.018035563 u |
| Formula |
C16H11NO3S2 |
| InChI |
InChI=1S/C16H11NO3S2/c1-10-8-11-9-12(17(18)19)6-7-13(11)20-16(10)21-14-4-2-3-5-15(14)22-16/h2-9H,1H3 |
| InChIKey |
UQRMSYQGCPIFIF-UHFFFAOYSA-N |
| Molecular Weight |
329.388 g/mol |
| SMILES |
C12=C(C=C(C=C2)N(=O)=O)C=C(C2(O1)SC1=CC=CC=C1S2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896039 |
