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4-(1',3',4',5'-Tetrahydro-4',4',7',8'-tetramethyl-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one

View entire compound with spectra: 1 MS (GC)

4-(1',3',4',5'-Tetrahydro-4',4',7',8'-tetramethyl-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
SpectraBase Compound ID Bkh47d5m3Lt
InChI InChI=1S/C20H28N2OS/c1-11-8-14-15(9-12(11)2)22-19(4,5)10-16(21-14)17-18(23)13(3)24-20(17,6)7/h8-9,13,21-22H,10H2,1-7H3/b17-16+
InChIKey ASXIUIFECUAEMM-WUKNDPDISA-N
Mol Weight 344.52 g/mol
Molecular Formula C20H28N2OS
Exact Mass 344.192235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uqurl0VKjZ
Name 4-(1',3',4',5'-Tetrahydro-4',4',7',8'-tetramethyl-2H-1',5'-benzodiazepin-2'-ylidene)-2,5,5-trimethyldihydrothiophen-3(2H)-one
Alternate Name(s) (4E)-2,5,5-trimethyl-4-(4,4,7,8-tetramethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-3-thiolanone (4E)-2,5,5-trimethyl-4-(4,4,7,8-tetramethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)thiolan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2OS
InChI InChI=1S/C20H28N2OS/c1-11-8-14-15(9-12(11)2)22-19(4,5)10-16(21-14)17-18(23)13(3)24-20(17,6)7/h8-9,13,21-22H,10H2,1-7H3/b17-16+
InChIKey ASXIUIFECUAEMM-WUKNDPDISA-N
Molecular Weight 344.517 g/mol
SMILES N1c2c(cc(c(c2)C)C)NC(C\C1=C\1C(SC(C1=O)C)(C)C)(C)C
SPLASH splash10-002f-0239000000-211416e2b622fd854529
Source of Spectrum F-65-7745-4b
Wiley ID 1679713