SpectraBase Compound ID | 5iYcmaVyWPV |
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InChI | InChI=1S/C26H32BrNO2/c1-2-3-4-6-19-7-5-8-25-24(19)16-15-22-13-14-23(28(22)25)17-18-30-26(29)20-9-11-21(27)12-10-20/h1,3-4,9-12,19,22-25H,5-8,13-18H2/b4-3+ |
InChIKey | HRMWRXWADHQDKY-ONEGZZNKSA-N |
Mol Weight | 470.5 g/mol |
Molecular Formula | C26H32BrNO2 |
Exact Mass | 469.161642 g/mol |
SpectraBase Spectrum ID | ErHbAlSEzen |
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Name | Benzoic acid, 4-bromo-, 2-[dodecahydro-6-(2-penten-4-ynyl)pyrrolo[1,2-a]quinolin-1-yl]ethyl ester, [1S-[1.alpha.,3a.beta.,5a.alpha.,6.alpha.(Z),9a.alpha.]]- |
Alternate Name(s) | 2-(6-[(2E)-2-Penten-4-ynyl]dodecahydropyrrolo[1,2-a]quinolin-1-yl)ethyl 4-bromobenzoate 2-[6-[(E)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethyl 4-bromanylbenzoate 2-[6-[(E)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethyl 4-bromobenzoate 4-Bromobenzoic acid 2-[6-[(E)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethyl ester Benzoic acid, 4-bromo-, 2-[dodecahydro-6-(2-penten-4-ynyl)pyrrolo[1,2-a]quinolin-1-yl]ethyl ester, [1R-[1.alpha.,3a.beta.,5a.alpha.,6.alpha.(Z),9a.alpha.]]- |
CAS Registry Number | 63983-57-3 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C26H32BrNO2 |
InChI | InChI=1S/C26H32BrNO2/c1-2-3-4-6-19-7-5-8-25-24(19)16-15-22-13-14-23(28(22)25)17-18-30-26(29)20-9-11-21(27)12-10-20/h1,3-4,9-12,19,22-25H,5-8,13-18H2/b4-3+ |
InChIKey | HRMWRXWADHQDKY-ONEGZZNKSA-N |
Molecular Weight | 470.451 g/mol |
SMILES | c1(Br)ccc(cc1)C(=O)OCCC1CCC2CCC3C(CCCC3N12)C\C=C\C#C |
SPLASH | splash10-0006-0690200000-17f07962631eb469f1eb |
Source of Spectrum | W5-36066-29470-29470 |
Wiley ID | 1392647 |