2,4,7-Metheno-3H-cyclopenta[a]pentalen-3-one, 4-bromodecahydro-

SpectraBase Compound ID	HZcqSKazWTy
InChI	InChI=1S/C12H13BrO/c13-12-2-1-4-7-5-3-6(10(7)12)11(14)8(5)9(4)12/h4-10H,1-3H2/t4-,5+,6-,7+,8+,9-,10-,12+/m0/s1
InChIKey	APWYTIYVGIYWPM-JDJJKFFTSA-N Google Search
Mol Weight	253.14 g/mol
Molecular Formula	C12H13BrO
Exact Mass	252.014978 g/mol

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SpectraBase Spectrum ID	9plgAqEBpoF
Name	2,4,7-Metheno-3H-cyclopenta[a]pentalen-3-one, 4-bromodecahydro-
Alternate Name(s)	10-Bromopentacyclo[6.4.0.0(2,10).0(3,7).0(5,9)]dodecan-4-one 4-Bromo-decahydro-2,4,7-metheno-1H-cyclopenta[a]pentalen-3-one
CAS Registry Number	100693-30-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13BrO
InChI	InChI=1S/C12H13BrO/c13-12-2-1-4-7-5-3-6(10(7)12)11(14)8(5)9(4)12/h4-10H,1-3H2/t4-,5+,6-,7+,8+,9-,10-,12+/m0/s1
InChIKey	APWYTIYVGIYWPM-JDJJKFFTSA-N
Molecular Weight	253.139 g/mol
SMILES	[C@@]12([C@@]3([C@@]4([C@@]([C@]2([C@@]2(C(=O)[C@]3(C[C@]42[H])[H])[H])[H])(CC1)[H])[H])[H])Br
SPLASH	splash10-0002-0930000000-ae9af835ee37c3c160f3
Source of Spectrum	K-118-4995-36
Wiley ID	1255191