| SpectraBase Spectrum ID |
tocvYt4h7b |
| Name |
Celacinnine |
| Alternate Name(s) |
(S)-9-cinnamoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31N3O2 |
| InChI |
InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1 |
| InChIKey |
OROFOUPCOTVAJQ-NSFRLNINSA-N |
| Literature Reference DOI |
10.1002/hlca.19810640129 |
| Molecular Weight |
405.542 g/mol |
| SMILES |
N1CCCN(CCCCN[C@](c2ccccc2)(CC1=O)[H])C(\C=C\c1ccccc1)=O |
| SPLASH |
splash10-0fl0-2920000000-251d0c8f79d2cb53bb0f |
| Source of Spectrum |
H-64-295-4 |
| Wiley ID |
1797547 |
