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Tetra-(tert-Butyl) 2,6-Bis(tert-butylimino)-2H,6H-1,5-dithiocine-3,4,7,8-tetracarboxylate
SpectraBase Compound ID KEsJ0KHj2rR
InChI InChI=1S/C34H54N2O8S2/c1-29(2,3)35-23-19(25(37)41-31(7,8)9)21(27(39)43-33(13,14)15)46-24(36-30(4,5)6)20(26(38)42-32(10,11)12)22(45-23)28(40)44-34(16,17)18/h1-18H3/b21-19+,22-20+,35-23-,36-24-
InChIKey PHYSWDAZJDEIMC-RWNOCQAZSA-N
Mol Weight 682.9 g/mol
Molecular Formula C34H54N2O8S2
Exact Mass 682.332159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bHn1vNIVcR
Name Tetra-(tert-Butyl) 2,6-Bis(tert-butylimino)-2H,6H-1,5-dithiocine-3,4,7,8-tetracarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H54N2O8S2
InChI InChI=1S/C34H54N2O8S2/c1-29(2,3)35-23-19(25(37)41-31(7,8)9)21(27(39)43-33(13,14)15)46-24(36-30(4,5)6)20(26(38)42-32(10,11)12)22(45-23)28(40)44-34(16,17)18/h1-18H3/b21-19+,22-20+,35-23-,36-24-
InChIKey PHYSWDAZJDEIMC-RWNOCQAZSA-N
Molecular Weight 682.932 g/mol
SMILES C(\N=C\1S\C(=C/(\C(S\C(=C/1C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=N\C(C)(C)C)C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)(C)(C)C
SPLASH splash10-0a4i-9020000000-2e0a0ac72b822d231da1
Source of Spectrum F4-41-2735-3e
Wiley ID 1672789