| SpectraBase Spectrum ID |
FcfZQqgSCdv |
| Name |
cis,cis-1,3,5-Trimethyl-3,5-bis(phenethylcarbamoyl)cyclohexane-1-carboxylic acid |
| Alternate Name(s) |
(3R,5S)-1,3,5-trimethyl-3,5-bis{[(2-phenylethyl)amino]carbonyl}cyclohexanecarboxylic acid
1,3,5-Trimethyl-3,5-bis(phenethylcarbamoyl)cyclohexane-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36N2O4 |
| InChI |
InChI=1S/C28H36N2O4/c1-26(23(31)29-16-14-21-10-6-4-7-11-21)18-27(2,20-28(3,19-26)25(33)34)24(32)30-17-15-22-12-8-5-9-13-22/h4-13H,14-20H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/t26-,27+,28- |
| InChIKey |
JKCLUSMLBGXVRJ-OUOZDZGXSA-N |
| Molecular Weight |
464.606 g/mol |
| SMILES |
N(C([C@@]1(C[C@](C[C@](C(NCCc2ccccc2)=O)(C1)C)(C(=O)O)C)C)=O)CCc1ccccc1 |
| SPLASH |
splash10-00kf-0009700000-63345e74089ab6738da8 |
| Source of Spectrum |
AJ-72-871-1 |
| Wiley ID |
774947 |
