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(1R,2R)-trans-Cyclohexandiol bis-p-dimethylaminohydrocinnamate
SpectraBase Compound ID 1qtjhtzNU2S
InChI InChI=1S/C28H38N2O4/c1-29(2)23-15-9-21(10-16-23)13-19-27(31)33-25-7-5-6-8-26(25)34-28(32)20-14-22-11-17-24(18-12-22)30(3)4/h9-12,15-18,25-26H,5-8,13-14,19-20H2,1-4H3/t25-,26-/m1/s1
InChIKey RBXYAKOEDUCKAR-CLJLJLNGSA-N
Mol Weight 466.6 g/mol
Molecular Formula C28H38N2O4
Exact Mass 466.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TN1pUKNnQG
Name (1R,2R)-trans-Cyclohexandiol bis-p-dimethylaminohydrocinnamate
Alternate Name(s) (1R,2R)-2-({3-[4-(dimethylamino)phenyl]propanoyl}oxy)cyclohexyl 3-[4-(dimethylamino)phenyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38N2O4
InChI InChI=1S/C28H38N2O4/c1-29(2)23-15-9-21(10-16-23)13-19-27(31)33-25-7-5-6-8-26(25)34-28(32)20-14-22-11-17-24(18-12-22)30(3)4/h9-12,15-18,25-26H,5-8,13-14,19-20H2,1-4H3/t25-,26-/m1/s1
InChIKey RBXYAKOEDUCKAR-CLJLJLNGSA-N
Molecular Weight 466.622 g/mol
SMILES C(O[C@]1([C@](OC(=O)CCc2ccc(cc2)N(C)C)(CCCC1)[H])[H])(=O)CCc1ccc(cc1)N(C)C
SPLASH splash10-001i-0900200000-93018448c58dd3d7fc71
Source of Spectrum F-47-9769-7
Wiley ID 1392018