basic_info |
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Product_Name: | TERT-BUTYL 3,5-DIMETHYL-4-NITROBENZOATE |
CAS: | 515174-13-7 |
EnglishSynonyms: | TERT-BUTYL 3.5-DIMETHYL-4-NIRTOBENZOATE ; TERT-BUTYL 3,5-DIMETHYL-4-NITROBENZOATE |
pro_mdlNumber: | MFCD08703411 |
pro_acceptors: | 5 |
pro_donors: | 0 |
pro_smile: | Cc1cc(cc(c1[N+](=O)[O-])C)C(=O)OC(C)(C)C |
InChi: | InChI=1S/C13H17NO4/c1-8-6-10(12(15)18-13(3,4)5)7-9(2)11(8)14(16)17/h6-7H,1-5H3 |
InChiKey: | InChIKey=DQKYEPKNQGWXBL-UHFFFAOYSA-N |
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