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rel(1R,2S)-2-Bromomethyl-1-methyl-1-phenylcyclopentane
SpectraBase Compound ID KAd8BSCv0CU
InChI InChI=1S/C13H17Br/c1-13(9-5-8-12(13)10-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,13+/m1/s1
InChIKey BVLKDPNXYCRBQF-OLZOCXBDSA-N
Mol Weight 253.18 g/mol
Molecular Formula C13H17Br
Exact Mass 252.051364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BarfV88rXq8
Name rel(1R,2S)-2-Bromomethyl-1-methyl-1-phenylcyclopentane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17Br
InChI InChI=1S/C13H17Br/c1-13(9-5-8-12(13)10-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,13+/m1/s1
InChIKey BVLKDPNXYCRBQF-OLZOCXBDSA-N
Molecular Weight 253.183 g/mol
SMILES [C@@]1(c2ccccc2)([C@@](CBr)(CCC1)[H])C
SPLASH splash10-052f-9600000000-02d60a1ea802f0bba3aa
Source of Spectrum F-52-7471-6
Synonyms rel(1R,2R)-2-Bromomethyl-1-methyl-1-phenylcyclopentane [(1R,2S)-2-(bromomethyl)-1-methylcyclopentyl]benzene
Wiley ID 796825