![3-Benzyl-5',5'-dimethyl-9-bromo-2,3,4,4a,5,6-hexahydro-1H-spiro[benzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione](/api/spectrum/ATpCSRRfhLI/structure.png?h=300&w=458 "3-Benzyl-5',5'-dimethyl-9-bromo-2,3,4,4a,5,6-hexahydro-1H-spiro[benzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione")
| SpectraBase Compound ID | 7jSIecVpOQZ |
|---|---|
| InChI | InChI=1S/C27H30BrNO2/c1-26(2)16-24(30)27(25(31)17-26)15-20-8-9-21(28)14-22(20)29-11-10-19(13-23(27)29)12-18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15-17H2,1-2H3 |
| InChIKey | GLRAOORMWGXIJK-UHFFFAOYSA-N |
| Mol Weight | 480.45 g/mol |
| Molecular Formula | C27H30BrNO2 |
| Exact Mass | 479.145992 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ATpCSRRfhLI |
|---|---|
| Name | 3-Benzyl-5',5'-dimethyl-9-bromo-2,3,4,4a,5,6-hexahydro-1H-spiro[benzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H30BrNO2 |
| InChI | InChI=1S/C27H30BrNO2/c1-26(2)16-24(30)27(25(31)17-26)15-20-8-9-21(28)14-22(20)29-11-10-19(13-23(27)29)12-18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15-17H2,1-2H3 |
| InChIKey | GLRAOORMWGXIJK-UHFFFAOYSA-N |
| Molecular Weight | 480.446 g/mol |
| SMILES | C12(C3N(CCC(C3)Cc3ccccc3)c3c(C2)ccc(Br)c3)C(CC(CC1=O)(C)C)=O |
| SPLASH | splash10-001i-0000900000-c66d3ff81792ed9b2678 |
| Source of Spectrum | O1-45-749-7j |
| Synonyms | 9-bromo-5',5'-dimethyl-3-(phenylmethyl)spiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione 3-benzyl-9-bromo-5',5'-dimethylspiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione 3-benzyl-9-bromo-5',5'-dimethyl-spiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione 9-bromanyl-5',5'-dimethyl-3-(phenylmethyl)spiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione |
| Wiley ID | 1668925 |