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Dimethyl 3-benzyl-4-(3-phenyl-1-propenyl)-1-cyclohexene-1,4-dicarboxylate
SpectraBase Compound ID 52MwoxIc8FE
InChI InChI=1S/C26H28O4/c1-29-24(27)22-15-17-26(25(28)30-2,16-9-14-20-10-5-3-6-11-20)23(19-22)18-21-12-7-4-8-13-21/h3-13,16,19,23H,14-15,17-18H2,1-2H3/b16-9+
InChIKey LCZWCASEYZOFBB-CXUHLZMHSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66qh5ozAS2E
Name Dimethyl 3-benzyl-4-(3-phenyl-1-propenyl)-1-cyclohexene-1,4-dicarboxylate
Alternate Name(s) Dimethyl 3-benzyl-4-[(1E)-3-phenyl-1-propenyl]-1-cyclohexene-1,4-dicarboxylate
CAS Registry Number 115266-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O4
InChI InChI=1S/C26H28O4/c1-29-24(27)22-15-17-26(25(28)30-2,16-9-14-20-10-5-3-6-11-20)23(19-22)18-21-12-7-4-8-13-21/h3-13,16,19,23H,14-15,17-18H2,1-2H3/b16-9+
InChIKey LCZWCASEYZOFBB-CXUHLZMHSA-N
Molecular Weight 404.506 g/mol
SMILES C1(C(C=C(CC1)C(=O)OC)Cc1ccccc1)(C(=O)OC)\C=C\Cc1ccccc1
SPLASH splash10-03di-0911000000-9dbf6056273d8c11515f
Source of Spectrum J-53-3708-6
Wiley ID 1371538