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(4E)-4-(7'-Chloro-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: 2 MS (GC)

(4E)-4-(7'-Chloro-4',4'-dimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
SpectraBase Compound ID 17sVJOsPSso
InChI InChI=1S/C18H23ClN2OS/c1-10-16(22)15(18(4,5)23-10)14-9-17(2,3)21-13-8-11(19)6-7-12(13)20-14/h6-8,10,20-21H,9H2,1-5H3/b15-14+
InChIKey IYMWBVLNNQZSLU-CCEZHUSRSA-N
Mol Weight 350.91 g/mol
Molecular Formula C18H23ClN2OS
Exact Mass 350.121962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HGrcTdggK
Name (4E)-4-(7'-Chloro-4',4'-dimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
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Formula C18H23ClN2OS
InChI InChI=1S/C18H23ClN2OS/c1-10-16(22)15(18(4,5)23-10)14-9-17(2,3)21-13-8-11(19)6-7-12(13)20-14/h6-8,10,20-21H,9H2,1-5H3/b15-14+
InChIKey IYMWBVLNNQZSLU-CCEZHUSRSA-N
Molecular Weight 350.908 g/mol
SMILES N1c2c(cc(cc2)Cl)NC(C\C1=C\1C(SC(C1=O)C)(C)C)(C)C
SPLASH splash10-0frt-0339000000-1b20b92a064ac280f314
Source of Spectrum F-65-7747-4g
Synonyms (4E)-4-(7'-Chloro-4',4'-diimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one (4E)-4-(7-chloro-4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-3-thiolanone (4E)-4-(7-chloro-4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethylthiolan-3-one (4E)-4-(7-chloranyl-4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-thiolan-3-one
Wiley ID 1679701