1H-Cyclobuta[h]cyclopent[a]indene, benzoic acid deriv.

SpectraBase Compound ID	AE8aE94iVlw
InChI	InChI=1S/C21H25BrO2/c22-16-7-4-13(5-8-16)20(23)24-19-9-6-15-12-14-2-1-3-17(14)21(15)11-10-18(19)21/h4-5,7-8,14-15,17-19H,1-3,6,9-12H2/t14-,15+,17-,18-,19-,21-/m1/s1
InChIKey	RQFLAEOREQRNBX-WLMNYARBSA-N Google Search
Mol Weight	389.33 g/mol
Molecular Formula	C21H25BrO2
Exact Mass	388.103793 g/mol

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SpectraBase Spectrum ID	KcRENAG6wv4
Name	1H-Cyclobuta[h]cyclopent[a]indene, benzoic acid deriv.
CAS Registry Number	132842-79-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H25BrO2
InChI	InChI=1S/C21H25BrO2/c22-16-7-4-13(5-8-16)20(23)24-19-9-6-15-12-14-2-1-3-17(14)21(15)11-10-18(19)21/h4-5,7-8,14-15,17-19H,1-3,6,9-12H2/t14-,15+,17-,18-,19-,21-/m1/s1
InChIKey	RQFLAEOREQRNBX-WLMNYARBSA-N
Molecular Weight	389.333 g/mol
SMILES	[C@]123[C@](C[C@@]4([C@]3(CCC4)[H])[H])(CC[C@]([C@@]2([H])CC1)(OC(c1ccc(cc1)Br)=O)[H])[H]
SPLASH	splash10-03dr-0900000000-763d1328bb16a73618ab
Source of Spectrum	AJ-63-3041-10
Synonyms	Benzoic acid, 4-bromo-, dodecahydro-1H-cyclobuta[h]cyclopent[a]inden-3-yl ester, (2a.alpha.,3.beta.,5a.beta.,6a.beta.,9a.beta.,9bR*)-(.+-.)- (2aS,3R,5aS,6aR,9aR,9bR)-dodecahydro-1H-cyclobuta[h]cyclopenta[a]inden-3-yl 4-bromobenzoate cis-cisoid-cis-tetracyclo[6.6.0.0(1,12).0(2,6)]tetradecan-11-yl p-bromobenzoate
Wiley ID	1363807