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1,3-Di-tert-butyl 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-[(2-phenylethyl)amino]cyclohex-3-ene-1,3-dicarboxylate
SpectraBase Compound ID BgurmarPYcm
InChI InChI=1S/C31H40ClNO5/c1-29(2,3)37-27(34)25-23(33-18-17-20-11-9-8-10-12-20)19-31(7,36)26(28(35)38-30(4,5)6)24(25)21-13-15-22(32)16-14-21/h8-16,24,26,33,36H,17-19H2,1-7H3
InChIKey QFKUHUDGCQIAIR-UHFFFAOYSA-N
Mol Weight 542.1 g/mol
Molecular Formula C31H40ClNO5
Exact Mass 541.259501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25Kd3665Hxl
Name 1,3-Di-tert-butyl 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-[(2-phenylethyl)amino]cyclohex-3-ene-1,3-dicarboxylate
Alternate Name(s) 3-Cyclohexene-1,3-dicarboxylic acid, 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-[(2-phenylethyl)amino]-, bis(1,1-dimethylethyl) ester 2-(4-Chlorophenyl)-6-hydroxy-6-methyl-4-(2-phenylethylamino)cyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester ditert-butyl 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-(2-phenylethylamino)cyclohex-3-ene-1,3-dicarboxylate ditert-butyl 2-(4-chlorophenyl)-6-methyl-6-oxidanyl-4-(2-phenylethylamino)cyclohex-3-ene-1,3-dicarboxylate
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Formula C31H40ClNO5
InChI InChI=1S/C31H40ClNO5/c1-29(2,3)37-27(34)25-23(33-18-17-20-11-9-8-10-12-20)19-31(7,36)26(28(35)38-30(4,5)6)24(25)21-13-15-22(32)16-14-21/h8-16,24,26,33,36H,17-19H2,1-7H3
InChIKey QFKUHUDGCQIAIR-UHFFFAOYSA-N
Molecular Weight 542.116 g/mol
SMILES OC1(C(C(C(=C(C1)NCCc1ccccc1)C(OC(C)(C)C)=O)c1ccc(cc1)Cl)C(OC(C)(C)C)=O)C
SPLASH splash10-0a4i-8968620000-4b14980df67609562276
Source of Spectrum IY-2-5051-4
Wiley ID 1658497