| SpectraBase Compound ID | BjNZS75UBz5 |
|---|---|
| InChI | InChI=1S/C30H36N2O4/c1-20-16-28(33)32(29(20)34)27-15-9-7-13-25(27)30(35)36-19-22-17-24-12-6-8-14-26(24)31(18-22)21(2)23-10-4-3-5-11-23/h3-5,7,9-11,13,15,20-22,24,26H,6,8,12,14,16-19H2,1-2H3/t20?,21-,22-,24+,26+/m1/s1 |
| InChIKey | FMRXRJPTTZTFRU-JANQSGDOSA-N |
| Mol Weight | 488.6 g/mol |
| Molecular Formula | C30H36N2O4 |
| Exact Mass | 488.267508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1b6kfzUQHW5 |
|---|---|
| Name | 2-(3-Methyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic acid(3R,4aS,8aS)-1-((R)-1-phenyl-ethyl)-decahydro-quinolin-3-ylmethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H36N2O4 |
| InChI | InChI=1S/C30H36N2O4/c1-20-16-28(33)32(29(20)34)27-15-9-7-13-25(27)30(35)36-19-22-17-24-12-6-8-14-26(24)31(18-22)21(2)23-10-4-3-5-11-23/h3-5,7,9-11,13,15,20-22,24,26H,6,8,12,14,16-19H2,1-2H3/t20?,21-,22-,24+,26+/m1/s1 |
| InChIKey | FMRXRJPTTZTFRU-JANQSGDOSA-N |
| Molecular Weight | 488.628 g/mol |
| SMILES | C1(N(C(C(C1)C)=O)c1c(C(OC[C@]2(CN([C@@](c3ccccc3)(C)[H])[C@@]3([C@](C2)(CCCC3)[H])[H])[H])=O)cccc1)=O |
| SPLASH | splash10-0aov-9753800000-e3bf53a20b3ae5cc8092 |
| Source of Spectrum | U1-2009-1959-5d |
| Synonyms | 2-(3-Methyl-2,5-dioxo-1-pyrrolidinyl)benzoic acid [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl ester [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-(3-methyl-2,5-dioxo-pyrrolidin-1-yl)benzoate [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-[3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate |
| Wiley ID | 1662773 |