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Dimethyl 2-[benzylamino-(4',4'-dimethyl-2',6'-dioxocyclohexylidene)methyl]-but-2-ene-1,4-dioate
SpectraBase Compound ID 9fDhBwF2W7r
InChI InChI=1S/C22H25NO6/c1-22(2)11-16(24)19(17(25)12-22)20(23-13-14-8-6-5-7-9-14)15(21(27)29-4)10-18(26)28-3/h5-10,23H,11-13H2,1-4H3/b15-10-
InChIKey PBCFWHARBAGMAS-GDNBJRDFSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kZ8ZclIxke
Name Dimethyl 2-[benzylamino-(4',4'-dimethyl-2',6'-dioxocyclohexylidene)methyl]-but-2-ene-1,4-dioate
Alternate Name(s) Dimethyl (2Z)-2-[(benzylamino)(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-2-butenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-22(2)11-16(24)19(17(25)12-22)20(23-13-14-8-6-5-7-9-14)15(21(27)29-4)10-18(26)28-3/h5-10,23H,11-13H2,1-4H3/b15-10-
InChIKey PBCFWHARBAGMAS-GDNBJRDFSA-N
Molecular Weight 399.443 g/mol
SMILES N(C(=C1C(CC(CC1=O)(C)C)=O)\C(=C\C(=O)OC)C(=O)OC)Cc1ccccc1
SPLASH splash10-000f-9016000000-1579ba9a72b7dec54a68
Source of Spectrum AH-134-1591-7
Wiley ID 1547025