| SpectraBase Compound ID | 2sNsyLPyxvL |
|---|---|
| InChI | InChI=1S/C16H25NO4/c1-17(2)12-9-10-7-5-6-8-11(10)13(15(18)20-3)14(12)16(19)21-4/h9,11-14H,5-8H2,1-4H3/t11-,12+,13-,14-/m0/s1 |
| InChIKey | RQAAVPDLOZJTBY-CRWXNKLISA-N |
| Mol Weight | 295.38 g/mol |
| Molecular Formula | C16H25NO4 |
| Exact Mass | 295.178358 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DTWS9PPzBBh |
|---|---|
| Name | (1S,2R,3R,8aR)-3-(dimethylamino)-1,2,3,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylic acid dimethyl ester |
| CAS Registry Number | 130487-01-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H25NO4 |
| InChI | InChI=1S/C16H25NO4/c1-17(2)12-9-10-7-5-6-8-11(10)13(15(18)20-3)14(12)16(19)21-4/h9,11-14H,5-8H2,1-4H3/t11-,12+,13-,14-/m0/s1 |
| InChIKey | RQAAVPDLOZJTBY-CRWXNKLISA-N |
| Molecular Weight | 295.379 g/mol |
| SMILES | [C@]1([C@@](C=C2[C@@]([C@@]1(C(=O)OC)[H])(CCCC2)[H])(N(C)C)[H])(C(=O)OC)[H] |
| SPLASH | splash10-0udi-1900000000-7df2564f12834fb13f17 |
| Source of Spectrum | H-73-647-7 |
| Synonyms | 1,2-Naphthalenedicarboxylic acid, 3-(dimethylamino)-1,2,3,5,6,7,8,8a-octahydro-, dimethyl ester, (1.alpha.,2.beta.,3.alpha.,8a.beta.)-(.+-.)- (4aRS,5SR,6RS,7RS)-7-(Dimethylamino)-1,2,3,4,4a,5,6,7-octahy-dronaphthalene-5,6-dicarboxylate Dimethyl (4aRS,5RS,6SR,7RS)-7-(Dimethylamino)-1,2,3,4,4a,5,6,7-octahyl-dronaphthalene-5,7-dicarboxylate Dimethyl (1S,2R,3R,8aR)-3-(dimethylamino)-1,2,3,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylate |
| Wiley ID | 1298189 |