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(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-bromoacetate
SpectraBase Compound ID 2NJsHxB2A1f
InChI InChI=1S/C12H21BrO2/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey HXNXZTLLFFEGBK-OUAUKWLOSA-N
Mol Weight 277.2 g/mol
Molecular Formula C12H21BrO2
Exact Mass 276.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnKg5jIrq4a
Name (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-bromoacetate
Alternate Name(s) 2-Bromoacetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-bromoacetate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-bromanylethanoate
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Formula C12H21BrO2
InChI InChI=1S/C12H21BrO2/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey HXNXZTLLFFEGBK-OUAUKWLOSA-N
Literature Reference DOI 10.1002/adsc.200700156
Molecular Weight 277.202 g/mol
SMILES C(CBr)(=O)O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-000t-9100000000-53aba1098ec22a527d04
Source of Spectrum ASC-349-2177/SM4-1b1
Wiley ID 1765387