| SpectraBase Compound ID | BJsaJN0zjiU |
|---|---|
| InChI | InChI=1S/C26H36N2O4/c1-3-4-13-27-16-19(15-20-9-5-7-11-22(20)27)17-32-26(31)21-10-6-8-12-23(21)28-24(29)14-18(2)25(28)30/h6,8,10,12,18-20,22H,3-5,7,9,11,13-17H2,1-2H3/t18?,19-,20+,22+/m1/s1 |
| InChIKey | HVBRFLMKWDRJBO-ABGITLHUSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C26H36N2O4 |
| Exact Mass | 440.267508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CTxOXw8frAO |
|---|---|
| Name | 2-(3-Methyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic acid (3R,4aS,8aS)-1-butyl-decahydro-quinolin-3-ylmethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H36N2O4 |
| InChI | InChI=1S/C26H36N2O4/c1-3-4-13-27-16-19(15-20-9-5-7-11-22(20)27)17-32-26(31)21-10-6-8-12-23(21)28-24(29)14-18(2)25(28)30/h6,8,10,12,18-20,22H,3-5,7,9,11,13-17H2,1-2H3/t18?,19-,20+,22+/m1/s1 |
| InChIKey | HVBRFLMKWDRJBO-ABGITLHUSA-N |
| Molecular Weight | 440.584 g/mol |
| SMILES | C1(N(C(C(C1)C)=O)c1c(C(OC[C@]2(CN(CCCC)[C@@]3([C@](C2)(CCCC3)[H])[H])[H])=O)cccc1)=O |
| SPLASH | splash10-0002-6019100000-cc4cbb65a09b191ecdb1 |
| Source of Spectrum | U1-2009-1959-5c |
| Wiley ID | 1662774 |