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Dimethyl 3-[3',3'-dimethyl-1'-(4"-nitrophenyl)but-1'-enyl]cyclohex-4-ene-1,2-dicarboxylate
SpectraBase Compound ID LLhecN0R5On
InChI InChI=1S/C22H27NO6/c1-22(2,3)13-18(14-9-11-15(12-10-14)23(26)27)16-7-6-8-17(20(24)28-4)19(16)21(25)29-5/h6-7,9-13,16-17,19H,8H2,1-5H3/b18-13-
InChIKey ULXVEAAUXGGLRI-AQTBWJFISA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1GC4VTDFXn
Name Dimethyl 3-[3',3'-dimethyl-1'-(4"-nitrophenyl)but-1'-enyl]cyclohex-4-ene-1,2-dicarboxylate
Alternate Name(s) Dimethyl 3-[(1E)-3,3-dimethyl-1-(4-nitrophenyl)-1-butenyl]-4-cyclohexene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-22(2,3)13-18(14-9-11-15(12-10-14)23(26)27)16-7-6-8-17(20(24)28-4)19(16)21(25)29-5/h6-7,9-13,16-17,19H,8H2,1-5H3/b18-13-
InChIKey ULXVEAAUXGGLRI-AQTBWJFISA-N
Molecular Weight 401.459 g/mol
SMILES C1(\C(=C/C(C)(C)C)c2ccc(N(=O)=O)cc2)C(C(C(=O)OC)CC=C1)C(=O)OC
SPLASH splash10-0lya-4179200000-fa6839e04023e63d9fed
Source of Spectrum ES-2005-2264-8
Wiley ID 1563418