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3-Cyclohexenyl-4-cyclohexyl-2,5-bis(diphenylcarbamoyl)thiophene - 1,1-dioxide
SpectraBase Compound ID 6bQcSF8H5Pl
InChI InChI=1S/C42H40N2O4S/c45-41(43(33-23-11-3-12-24-33)34-25-13-4-14-26-34)39-37(31-19-7-1-8-20-31)38(32-21-9-2-10-22-32)40(49(39,47)48)42(46)44(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1,3-7,11-18,23-32H,2,8-10,19-22H2
InChIKey HNHASFCIJXJXPW-UHFFFAOYSA-N
Mol Weight 668.9 g/mol
Molecular Formula C42H40N2O4S
Exact Mass 668.270879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Y0LIbXbUqc
Name 3-Cyclohexenyl-4-cyclohexyl-2,5-bis(diphenylcarbamoyl)thiophene - 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C42H40N2O4S
InChI InChI=1S/C42H40N2O4S/c45-41(43(33-23-11-3-12-24-33)34-25-13-4-14-26-34)39-37(31-19-7-1-8-20-31)38(32-21-9-2-10-22-32)40(49(39,47)48)42(46)44(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1,3-7,11-18,23-32H,2,8-10,19-22H2
InChIKey HNHASFCIJXJXPW-UHFFFAOYSA-N
Molecular Weight 668.852 g/mol
SMILES C=1(S(C(=C(C1C1CCCCC1)C1CC=CCC1)C(N(c1ccccc1)c1ccccc1)=O)(=O)=O)C(N(c1ccccc1)c1ccccc1)=O
SPLASH splash10-0udi-0000009000-3f522a79c430c2dd061d
Source of Spectrum U-1996-179-22
Synonyms 3-(3-cyclohexen-1-yl)-4-cyclohexyl-N(2),N(2),N(5),N(5)-tetraphenyl-2,5-thiophenedicarboxamide 1,1-dioxide
Wiley ID 768065