| SpectraBase Spectrum ID |
8iBJetKUHP6 |
| Name |
Thiocyanic acid 6,6'-diamino-3,3'-biphenylene ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.034688686 u |
| Formula |
C14H10N4S2 |
| InChI |
InChI=1S/C14H10N4S2/c15-7-19-9-1-3-13(17)11(5-9)12-6-10(20-8-16)2-4-14(12)18/h1-6H,17-18H2 |
| InChIKey |
PQVKXRLGZWYINT-UHFFFAOYSA-N |
| Molecular Weight |
298.382 g/mol |
| SMILES |
C1(=CC(=CC=C1N)SC#N)C1=CC(=CC=C1N)SC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899789 |
