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

SpectraBase Compound ID	DCWszNUPhvW
InChI	InChI=1S/C13H19BrN2O/c1-13(6-11(17)7-14)5-3-2-4-12(13)10(8-15)9-16/h10-12,17H,2-7H2,1H3/t11-,12+,13+/m0/s1
InChIKey	XURXDDWBMNCQLF-YNEHKIRRSA-N Google Search
Mol Weight	299.21 g/mol
Molecular Formula	C13H19BrN2O
Exact Mass	298.068076 g/mol

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SpectraBase Spectrum ID	D99VBZLyvmC
Name	2-[(1R,2R)-2-[(2S)-3-bromanyl-2-oxidanyl-propyl]-2-methyl-cyclohexyl]propanedinitrile
CAS Registry Number	92403-92-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H19BrN2O
InChI	InChI=1S/C13H19BrN2O/c1-13(6-11(17)7-14)5-3-2-4-12(13)10(8-15)9-16/h10-12,17H,2-7H2,1H3/t11-,12+,13+/m0/s1
InChIKey	XURXDDWBMNCQLF-YNEHKIRRSA-N
Molecular Weight	299.212 g/mol
SMILES	O[C@@](C[C@@]1([C@@](C(C#N)C#N)(CCCC1)[H])C)(CBr)[H]
SPLASH	splash10-08fr-0890000000-4d2d58ce7cf1d070bc3b
Source of Spectrum	B-43-1322-26
Synonyms	2-[(1R,2R)-2-[(2S)-3-bromo-2-hydroxy-propyl]-2-methyl-cyclohexyl]malononitrile 2-[(1R,2R)-2-[(2S)-3-bromo-2-hydroxy-propyl]-2-methyl-cyclohexyl]propanedinitrile
Wiley ID	1300595