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4-(4',4'-Dimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
SpectraBase Compound ID 1cYX63A7KqT
InChI InChI=1S/C18H24N2OS/c1-11-16(21)15(18(4,5)22-11)14-10-17(2,3)20-13-9-7-6-8-12(13)19-14/h6-9,11,19-20H,10H2,1-5H3/b15-14+
InChIKey GOZMBNDVERVBEH-CCEZHUSRSA-N
Mol Weight 316.46 g/mol
Molecular Formula C18H24N2OS
Exact Mass 316.160935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCPDnGhDNbR
Name 4-(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-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-3-thiolanone (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethylthiolan-3-one (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-thiolan-3-one
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Formula C18H24N2OS
InChI InChI=1S/C18H24N2OS/c1-11-16(21)15(18(4,5)22-11)14-10-17(2,3)20-13-9-7-6-8-12(13)19-14/h6-9,11,19-20H,10H2,1-5H3/b15-14+
InChIKey GOZMBNDVERVBEH-CCEZHUSRSA-N
Molecular Weight 316.463 g/mol
SMILES N1c2c(cccc2)NC(C\C1=C\1C(SC(C1=O)C)(C)C)(C)C
SPLASH splash10-0gc0-0519000000-9421b2fa05efa517403c
Source of Spectrum F-65-7745-4a
Wiley ID 1679716