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(4E)-4-(8'-Benzoyl-4',4'-dimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(4E)-4-(8'-Benzoyl-4',4'-dimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
SpectraBase Compound ID EzN5Wy5odFJ
InChI InChI=1S/C25H28N2O2S/c1-15-22(28)21(25(4,5)30-15)20-14-24(2,3)27-18-12-11-17(13-19(18)26-20)23(29)16-9-7-6-8-10-16/h6-13,15,26-27H,14H2,1-5H3/b21-20+
InChIKey LERXDLHRIRIGSQ-QZQOTICOSA-N
Mol Weight 420.57 g/mol
Molecular Formula C25H28N2O2S
Exact Mass 420.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA9bjEpWgbv
Name (4E)-4-(8'-Benzoyl-4',4'-dimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
Alternate Name(s) (4E)-4-(7-benzoyl-2,2-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-4-ylidene)-2,5,5-trimethyl-3-thiolanone (4E)-4-(7-benzoyl-2,2-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-4-ylidene)-2,5,5-trimethylthiolan-3-one (4E)-4-[2,2-dimethyl-7-(phenylcarbonyl)-3,5-dihydro-1H-1,5-benzodiazepin-4-ylidene]-2,5,5-trimethyl-thiolan-3-one
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Formula C25H28N2O2S
InChI InChI=1S/C25H28N2O2S/c1-15-22(28)21(25(4,5)30-15)20-14-24(2,3)27-18-12-11-17(13-19(18)26-20)23(29)16-9-7-6-8-10-16/h6-13,15,26-27H,14H2,1-5H3/b21-20+
InChIKey LERXDLHRIRIGSQ-QZQOTICOSA-N
Molecular Weight 420.571 g/mol
SMILES N1c2c(ccc(c2)C(=O)c2ccccc2)NC(C\C1=C\1C(SC(C1=O)C)(C)C)(C)C
SPLASH splash10-0lfr-2733900000-e033fea0ed968ca02422
Source of Spectrum F-65-7745-4d
Wiley ID 1680471