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(1R,2R)-trans-Cyclohexandiol Bis[4-(dimethylamino)benzoate
SpectraBase Compound ID BidvK4UPFDN
InChI InChI=1S/C24H30N2O4/c1-25(2)19-13-9-17(10-14-19)23(27)29-21-7-5-6-8-22(21)30-24(28)18-11-15-20(16-12-18)26(3)4/h9-16,21-22H,5-8H2,1-4H3/t21-,22-/m0/s1
InChIKey UIFODLPDLYYQBH-VXKWHMMOSA-N
Mol Weight 410.51 g/mol
Molecular Formula C24H30N2O4
Exact Mass 410.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17XTbX8raCh
Name (1R,2R)-trans-Cyclohexandiol Bis[4-(dimethylamino)benzoate
Alternate Name(s) (1R,2R)-trans-Cyclohexandiol bis-4-dimethylaminobebzoate (1S,2S)-2-{[4-(dimethylamino)benzoyl]oxy}cyclohexyl 4-(dimethylamino)benzoate
CAS Registry Number 135597-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N2O4
InChI InChI=1S/C24H30N2O4/c1-25(2)19-13-9-17(10-14-19)23(27)29-21-7-5-6-8-22(21)30-24(28)18-11-15-20(16-12-18)26(3)4/h9-16,21-22H,5-8H2,1-4H3/t21-,22-/m0/s1
InChIKey UIFODLPDLYYQBH-VXKWHMMOSA-N
Molecular Weight 410.514 g/mol
SMILES C(O[C@@]1([C@@](OC(c2ccc(cc2)N(C)C)=O)(CCCC1)[H])[H])(c1ccc(cc1)N(C)C)=O
SPLASH splash10-01ot-0940400000-9cbb41d046f57d0458b9
Source of Spectrum F-47-9767-11
Wiley ID 1373725