| SpectraBase Spectrum ID |
E4w76pBxtMG |
| Name |
Biphenyl, 2,2'-dimethoxy-5,5'-dithiocyanato- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.034019980 u |
| Formula |
C16H12N2O2S2 |
| InChI |
InChI=1S/C16H12N2O2S2/c1-19-15-5-3-11(21-9-17)7-13(15)14-8-12(22-10-18)4-6-16(14)20-2/h3-8H,1-2H3 |
| InChIKey |
MHTQNNORFJGKBM-UHFFFAOYSA-N |
| Molecular Weight |
328.404 g/mol |
| SMILES |
C1(=C(C=C(C=C1)SC#N)C1=C(C=CC(=C1)SC#N)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880878 |
