SpectraBase Spectrum ID |
GbXD7Bx0T5V |
Name |
di-(T-Butyl) 1,2,3,4-tetrahydro[L]benzothieno[2,3-D]pyridazine-2,3-dicarboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
390.161328495 u |
Formula |
C20H26N2O4S |
InChI |
InChI=1S/C20H26N2O4S/c1-19(2,3)25-17(23)21-11-14-13-9-7-8-10-15(13)27-16(14)12-22(21)18(24)26-20(4,5)6/h7-10H,11-12H2,1-6H3 |
InChIKey |
WFNXIRHQUMKCNF-UHFFFAOYSA-N |
Molecular Weight |
390.498 g/mol |
SMILES |
C(N1N(CC2=C(C1)C1=CC=CC=C1S2)C(OC(C)(C)C)=O)(OC(C)(C)C)=O |