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(1R,2R)-trans-Cyclohexandiol bis-p-dimethylaminophenylacetate
SpectraBase Compound ID FYFNO9yZx5r
InChI InChI=1S/C26H34N2O4/c1-27(2)21-13-9-19(10-14-21)17-25(29)31-23-7-5-6-8-24(23)32-26(30)18-20-11-15-22(16-12-20)28(3)4/h9-16,23-24H,5-8,17-18H2,1-4H3/t23-,24-/m1/s1
InChIKey CLHWICKKJYSHFG-DNQXCXABSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H34N2O4
Exact Mass 438.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly0SqBVjzGS
Name (1R,2R)-trans-Cyclohexandiol bis-p-dimethylaminophenylacetate
Alternate Name(s) (1R,2R)-2-({2-[4-(dimethylamino)phenyl]acetyl}oxy)cyclohexyl[4-(dimethylamino)phenyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N2O4
InChI InChI=1S/C26H34N2O4/c1-27(2)21-13-9-19(10-14-21)17-25(29)31-23-7-5-6-8-24(23)32-26(30)18-20-11-15-22(16-12-20)28(3)4/h9-16,23-24H,5-8,17-18H2,1-4H3/t23-,24-/m1/s1
InChIKey CLHWICKKJYSHFG-DNQXCXABSA-N
Molecular Weight 438.568 g/mol
SMILES C(O[C@]1([C@](OC(=O)Cc2ccc(cc2)N(C)C)(CCCC1)[H])[H])(=O)Cc1ccc(cc1)N(C)C
SPLASH splash10-01q9-0900000000-0bf9bc95bae7193897fc
Source of Spectrum F-47-9769-9
Wiley ID 1384232