| SpectraBase Spectrum ID |
4F6Hsa8aZFO |
| Name |
Thiocyanic acid carbonylbis[4-hydroxy-6-methoxy-3,1-phenylene]ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.018763837 u |
| Formula |
C17H12N2O5S2 |
| InChI |
InChI=1S/C17H12N2O5S2/c1-23-13-5-11(20)9(3-15(13)25-7-18)17(22)10-4-16(26-8-19)14(24-2)6-12(10)21/h3-6,20-21H,1-2H3 |
| InChIKey |
YRZFISLTUSSMSO-UHFFFAOYSA-N |
| Molecular Weight |
388.412 g/mol |
| SMILES |
C1(=CC(=C(C=C1O)OC)SC#N)C(C1=CC(=C(OC)C=C1O)SC#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889818 |
![Thiocyanic acid carbonylbis[4-hydroxy-6-methoxy-3,1-phenylene]ester](/api/spectrum/4F6Hsa8aZFO/structure.png?h=300&w=458 "Thiocyanic acid carbonylbis[4-hydroxy-6-methoxy-3,1-phenylene]ester")
