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N-(2,4-di-tert-Butyl-6-cyanophenyl)-N'-(2',4'-ditert-butyl-8',9'-thiazabicyclo[4.3.0]nona-2',4',6',9'-tetraen-7'-yl)sulfur diimide

View entire compound with spectra: 1 MS (GC)

N-(2,4-di-tert-Butyl-6-cyanophenyl)-N'-(2',4'-ditert-butyl-8',9'-thiazabicyclo[4.3.0]nona-2',4',6',9'-tetraen-7'-yl)sulfur diimide
SpectraBase Compound ID 5nzRMzrufRD
InChI InChI=1S/C30H40N4S2/c1-27(2,3)19-13-18(17-31)24(22(15-19)29(7,8)9)33-36-34-26-21-14-20(28(4,5)6)16-23(30(10,11)12)25(21)32-35-26/h13-16H,1-12H3
InChIKey OLCLIQNBAHIDFM-UHFFFAOYSA-N
Mol Weight 520.8 g/mol
Molecular Formula C30H40N4S2
Exact Mass 520.26944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MvPxwrEopb
Name N-(2,4-di-tert-Butyl-6-cyanophenyl)-N'-(2',4'-ditert-butyl-8',9'-thiazabicyclo[4.3.0]nona-2',4',6',9'-tetraen-7'-yl)sulfur diimide
CAS Registry Number 127616-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40N4S2
InChI InChI=1S/C30H40N4S2/c1-27(2,3)19-13-18(17-31)24(22(15-19)29(7,8)9)33-36-34-26-21-14-20(28(4,5)6)16-23(30(10,11)12)25(21)32-35-26/h13-16H,1-12H3
InChIKey OLCLIQNBAHIDFM-UHFFFAOYSA-N
Molecular Weight 520.798 g/mol
SMILES c12c(c(C(C)(C)C)cc(c2)C(C)(C)C)nsc1N=S=Nc1c(cc(cc1C#N)C(C)(C)C)C(C)(C)C
SPLASH splash10-044i-0090020000-91e91c624b652fe312d5
Source of Spectrum C-114-1835-7
Synonyms 3,5-Ditert-butyl-2-({[(5,7-ditert-butyl-2,1-benzisothiazol-3-yl)imino]-lambda(4)-sulfanylidene}amino)benzonitrile
Wiley ID 1401993