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(4E)-4-(4',4',8'-Trimethyl-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-(4',4',8'-Trimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
SpectraBase Compound ID 17f7fskwxb5
InChI InChI=1S/C19H26N2OS/c1-11-7-8-13-14(9-11)20-15(10-18(3,4)21-13)16-17(22)12(2)23-19(16,5)6/h7-9,12,20-21H,10H2,1-6H3/b16-15+
InChIKey PKPZYRMADDJLED-FOCLMDBBSA-N
Mol Weight 330.49 g/mol
Molecular Formula C19H26N2OS
Exact Mass 330.176585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LIJC36pERO
Name (4E)-4-(4',4',8'-Trimethyl-1',3',4',5'-tetrahydro-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
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Formula C19H26N2OS
InChI InChI=1S/C19H26N2OS/c1-11-7-8-13-14(9-11)20-15(10-18(3,4)21-13)16-17(22)12(2)23-19(16,5)6/h7-9,12,20-21H,10H2,1-6H3/b16-15+
InChIKey PKPZYRMADDJLED-FOCLMDBBSA-N
Molecular Weight 330.490 g/mol
SMILES N1c2c(ccc(c2)C)NC(C\C1=C\1C(SC(C1=O)C)(C)C)(C)C
SPLASH splash10-0a4j-0903000000-fe61b1a6b1735a22f445
Source of Spectrum F-65-7747-4f
Synonyms (4E)-2,5,5-trimethyl-4-(2,2,7-trimethyl-3,5-dihydro-1H-1,5-benzodiazepin-4-ylidene)-3-thiolanone (4E)-2,5,5-trimethyl-4-(2,2,7-trimethyl-3,5-dihydro-1H-1,5-benzodiazepin-4-ylidene)thiolan-3-one
Wiley ID 1680469