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1,1'',3,3''-tetrahydro-1,1,1'',1'',3,3,3'',3''-octamethyldispiro[2H-indene-2,2'-[1,3,4]thiadiazole-5',2''-[2H]indene]
SpectraBase Compound ID AcjPOssvAo6
InChI InChI=1S/C26H32N2S/c1-21(2)17-13-9-10-14-18(17)22(3,4)25(21)27-28-26(29-25)23(5,6)19-15-11-12-16-20(19)24(26,7)8/h9-16H,1-8H3
InChIKey AFQOMMMANPBTAZ-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C26H32N2S
Exact Mass 404.22862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhN0iTpyAmO
Name 1,1'',3,3''-Tetrahydro-1,1,1'',1'',3,3,3'',3''-octamethyldispiro[2H-indene-2,2'-[1,3,4]thiadiazole-5',2''-[2H]indene]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.228620212 u
Formula C26H32N2S
InChI InChI=1S/C26H32N2S/c1-21(2)17-13-9-10-14-18(17)22(3,4)25(21)27-28-26(29-25)23(5,6)19-15-11-12-16-20(19)24(26,7)8/h9-16H,1-8H3
InChIKey AFQOMMMANPBTAZ-UHFFFAOYSA-N
Molecular Weight 404.616 g/mol
SMILES C12(SC3(C(C=4C=CC=CC4C3(C)C)(C)C)N=N2)C(C=2C=CC=CC2C1(C)C)(C)C