Benzoic acid, 4-bromo-, 5,6-bis(methylene)bicyclo[2.2.2]oct-2-yl ester, [1S-(1.alpha.,2.alpha.,4.alpha.)]-

SpectraBase Compound ID	xtTKS3JUuO
InChI	InChI=1S/C17H17BrO2/c1-10-11(2)15-8-5-13(10)9-16(15)20-17(19)12-3-6-14(18)7-4-12/h3-4,6-7,13,15-16H,1-2,5,8-9H2/t13?,15-,16+/m0/s1
InChIKey	IIURVWRGNXIUGA-PXWJKWRZSA-N Google Search
Mol Weight	333.23 g/mol
Molecular Formula	C17H17BrO2
Exact Mass	332.041193 g/mol

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SpectraBase Spectrum ID	1L2mP7jLjSC
Name	Benzoic acid, 4-bromo-, 5,6-bis(methylene)bicyclo[2.2.2]oct-2-yl ester, [1S-(1.alpha.,2.alpha.,4.alpha.)]-
CAS Registry Number	90632-15-8
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17BrO2
InChI	InChI=1S/C17H17BrO2/c1-10-11(2)15-8-5-13(10)9-16(15)20-17(19)12-3-6-14(18)7-4-12/h3-4,6-7,13,15-16H,1-2,5,8-9H2/t13?,15-,16+/m0/s1
InChIKey	IIURVWRGNXIUGA-PXWJKWRZSA-N
Molecular Weight	333.225 g/mol
SMILES	C1(C(C2CC[C@@]1([C@](OC(c1ccc(cc1)Br)=O)(C2)[H])[H])=C)=C
SPLASH	splash10-001r-0901000000-b150a4956958989c0be5
Source of Spectrum	H-67-610-0
Synonyms	(-)-(1S,2R)-5,6-dimethylidene-2-exo-bicyclo[2.2.2]octyl-p-bromobenzoate (1S,2R)-5,6-dimethylenebicyclo[2.2.2]oct-2-yl 4-bromobenzoate
Wiley ID	1329268