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.]]-

SpectraBase Compound ID	5iYcmaVyWPV
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 Google Search
Mol Weight	470.5 g/mol
Molecular Formula	C26H32BrNO2
Exact Mass	469.161642 g/mol

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SpectraBase Spectrum ID	ErHbAlSEzen
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