basic_info |
|
| Product_Name： | N-OCTYL-3-METHYLCAFFEATE |
| EnglishSynonyms： | N-OCTYL-3-METHYLCAFFEATE |
| pro_mdlNumber： | MFCD10566492 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | CCCCCCCCOC(=O)/C=C/c1ccc(c(c1)OC)O |
| InChi： | InChI=1S/C18H26O4/c1-3-4-5-6-7-8-13-22-18(20)12-10-15-9-11-16(19)17(14-15)21-2/h9-12,14,19H,3-8,13H2,1-2H3/b12-10+ |
| InChiKey： | InChIKey=PBTJWDSMUBVOKC-ZRDIBKRKSA-N |
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