(1R * ,1'R * ,3S * ,5S * )-3-(4-bromobenzyl)-2,2'-dioxospiro[bicyclo[3.1.0]hexane-6,1'-cyclohexane]-3-carboxylate

SpectraBase Compound ID	CwQBpggNKsa
InChI	InChI=1S/C20H21BrO4/c1-25-18(24)19(10-12-5-7-13(21)8-6-12)11-14-16(17(19)23)20(14)9-3-2-4-15(20)22/h5-8,14,16H,2-4,9-11H2,1H3/t14-,16-,19+,20-/m0/s1
InChIKey	JRFACOWKYRATSW-UQOODKLHSA-N Google Search
Mol Weight	405.29 g/mol
Molecular Formula	C20H21BrO4
Exact Mass	404.062322 g/mol

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SpectraBase Spectrum ID	5NEUv94ONki
Name	(1R * ,1'R * ,3S * ,5S * )-3-(4-bromobenzyl)-2,2'-dioxospiro[bicyclo[3.1.0]hexane-6,1'-cyclohexane]-3-carboxylate
Alternate Name(s)	(1R,1'R,3S,5S)-methyl 3-(4-bromobenzyl)-2,2'-dioxospiro[bicyclo[3.1.0]hexane-6,1'-cyclohexane]-3-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H21BrO4
InChI	InChI=1S/C20H21BrO4/c1-25-18(24)19(10-12-5-7-13(21)8-6-12)11-14-16(17(19)23)20(14)9-3-2-4-15(20)22/h5-8,14,16H,2-4,9-11H2,1H3/t14-,16-,19+,20-/m0/s1
InChIKey	JRFACOWKYRATSW-UQOODKLHSA-N
Literature Reference DOI	10.1021/ol302942m
Molecular Weight	405.288 g/mol
SMILES	[C@]1(C(=O)OC)(Cc2ccc(cc2)Br)C(=O)[C@@]2([H])[C@]3([C@@]2([H])C1)CCCCC3=O
SPLASH	splash10-00di-0910000000-8ad4cc6148ddbbc51885
Source of Spectrum	A1-14-6048/SMS12-8
Wiley ID	1750842