(1R*,2R*,2'S*)-[2'-(3''-BROMO-2''-HYDROXYPROPYL)-2'-METHYLCYCLOHEXYL]-ACETONITRILE - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	cgtmamW2oe
InChI	InChI=1S/C12H20BrNO/c1-12(8-11(15)9-13)6-3-2-4-10(12)5-7-14/h10-11,15H,2-6,8-9H2,1H3/t10-,11+,12-/m1/s1
InChIKey	FKADMYRLEITAAU-GRYCIOLGSA-N Google Search
Mol Weight	274.2 g/mol
Molecular Formula	C12H20BrNO
Exact Mass	273.072827 g/mol

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SpectraBase Spectrum ID	4AetEf6HMKU
Name	2-[(1R,2R)-2-[(2S)-3-bromanyl-2-oxidanyl-propyl]-2-methyl-cyclohexyl]ethanenitrile
Alternate Name(s)	2-[(1R,2R)-2-[(2S)-3-bromo-2-hydroxy-propyl]-2-methyl-cyclohexyl]acetonitrile
CAS Registry Number	131581-14-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H20BrNO
InChI	InChI=1S/C12H20BrNO/c1-12(8-11(15)9-13)6-3-2-4-10(12)5-7-14/h10-11,15H,2-6,8-9H2,1H3/t10-,11+,12-/m1/s1
InChIKey	FKADMYRLEITAAU-GRYCIOLGSA-N
Molecular Weight	274.202 g/mol
SMILES	O[C@@](C[C@@]1([C@@](CC#N)(CCCC1)[H])C)(CBr)[H]
SPLASH	splash10-000j-4900000000-577c3d9bec5e5330d5b9
Source of Spectrum	B-43-1324-33
Wiley ID	1277058