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(2E)-2-(4',4'-Dimethyl-1',3',4',5'-tetrahydro-2'H-1',5'-benzodiazepin-2'-ylidene)-1-benzothiophen-3(2H)-one
SpectraBase Compound ID GfQV48dgoia
InChI InChI=1S/C19H18N2OS/c1-19(2)11-15(20-13-8-4-5-9-14(13)21-19)18-17(22)12-7-3-6-10-16(12)23-18/h3-10,20-21H,11H2,1-2H3/b18-15+
InChIKey WMOSIRJPKYFJPL-OBGWFSINSA-N
Mol Weight 322.43 g/mol
Molecular Formula C19H18N2OS
Exact Mass 322.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBiEQvApwVA
Name (2E)-2-(4',4'-Dimethyl-1',3',4',5'-tetrahydro-2'H-1',5'-benzodiazepin-2'-ylidene)-1-benzothiophen-3(2H)-one
Alternate Name(s) (2E)-2-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-1-benzothiophen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2OS
InChI InChI=1S/C19H18N2OS/c1-19(2)11-15(20-13-8-4-5-9-14(13)21-19)18-17(22)12-7-3-6-10-16(12)23-18/h3-10,20-21H,11H2,1-2H3/b18-15+
InChIKey WMOSIRJPKYFJPL-OBGWFSINSA-N
Molecular Weight 322.426 g/mol
SMILES N1c2c(cccc2)NC(C\C1=C/1Sc2ccccc2C1=O)(C)C
SPLASH splash10-05ai-0956000000-72acdfa64a106f188ed6
Source of Spectrum F-65-7749-9
Wiley ID 1679690