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Phenyl[4,7,8-tribenzoyl-2,6-bis(tert-butylimino)-2H,6H-1,5-dithiocine-3-yl]methanone
SpectraBase Compound ID HA6M9NHeIk
InChI InChI=1S/C42H38N2O4S2/c1-41(2,3)43-39-31(33(45)27-19-11-7-12-20-27)37(35(47)29-23-15-9-16-24-29)50-40(44-42(4,5)6)32(34(46)28-21-13-8-14-22-28)38(49-39)36(48)30-25-17-10-18-26-30/h7-26H,1-6H3/b37-31-,38-32-,43-39-,44-40-
InChIKey SPERCOAIQZBMFI-SEPMACTRSA-N
Mol Weight 698.9 g/mol
Molecular Formula C42H38N2O4S2
Exact Mass 698.2273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71dknD74c6X
Name Phenyl[4,7,8-tribenzoyl-2,6-bis(tert-butylimino)-2H,6H-1,5-dithiocine-3-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H38N2O4S2
InChI InChI=1S/C42H38N2O4S2/c1-41(2,3)43-39-31(33(45)27-19-11-7-12-20-27)37(35(47)29-23-15-9-16-24-29)50-40(44-42(4,5)6)32(34(46)28-21-13-8-14-22-28)38(49-39)36(48)30-25-17-10-18-26-30/h7-26H,1-6H3/b37-31-,38-32-,43-39-,44-40-
InChIKey SPERCOAIQZBMFI-SEPMACTRSA-N
Molecular Weight 698.896 g/mol
SMILES C(\N=C\1S\C(=C/(\C(S\C(=C/1C(=O)c1ccccc1)C(=O)c1ccccc1)=N\C(C)(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1)(C)(C)C
SPLASH splash10-0a4l-9110000000-e1ea1e9acfd53943a948
Source of Spectrum F4-41-2735-3g
Wiley ID 1672787