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Methyl 3-bromo-1-adamantanecarboxylate
SpectraBase Compound ID IzGtWo5fXko
InChI InChI=1S/C12H17BrO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7H2,1H3/t8-,9+,11+,12-
InChIKey OVGQTZDGYIAMNY-CDJYRKNRSA-N
Mol Weight 273.17 g/mol
Molecular Formula C12H17BrO2
Exact Mass 272.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJYzn36rczU
Name Methyl 3-bromo-1-adamantanecarboxylate
Alternate Name(s) 3-Bromo-1-adamantanecarboxylic acid methyl ester 3-Bromoadamantane-1-carboxylic acid methyl ester Adamantane-1-carboxylic acid, 3-bromo-, methyl ester Methyl 3-bromanyladamantane-1-carboxylate Methyl 3-bromoadamantane-1-carboxylate Tricyclo[1,1,3,3(3,7)]decane-1-carboxylic acid, 3-bromo-, methyl ester
CAS Registry Number 27983-08-0
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Formula C12H17BrO2
InChI InChI=1S/C12H17BrO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7H2,1H3/t8-,9+,11+,12-
InChIKey OVGQTZDGYIAMNY-CDJYRKNRSA-N
Molecular Weight 273.170 g/mol
SMILES [C@]12(C[C@@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])Br)C(OC)=O
SPLASH splash10-0006-4900000000-1b55477571bdeaadd815
Source of Spectrum AD-0-2532-0
Wiley ID 1423182