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(1'R(*),2'S(*),2"R(*))-[2'-(3"-Bromo-2"-hydroxypropyl)-2'-methylcyclohexyl]propanedinitrile

View entire compound with spectra: 1 MS (GC)

(1'R(*),2'S(*),2"R(*))-[2'-(3"-Bromo-2"-hydroxypropyl)-2'-methylcyclohexyl]propanedinitrile
SpectraBase Compound ID CC7pSLC4fA8
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+/m1/s1
InChIKey XURXDDWBMNCQLF-UPJWGTAASA-N
Mol Weight 299.21 g/mol
Molecular Formula C13H19BrN2O
Exact Mass 298.068076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvNgeVqwOk4
Name (1'R(*),2'S(*),2"R(*))-[2'-(3"-Bromo-2"-hydroxypropyl)-2'-methylcyclohexyl]propanedinitrile
CAS Registry Number 131616-94-9
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+/m1/s1
InChIKey XURXDDWBMNCQLF-UPJWGTAASA-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 splash10-0a4j-6590000000-b6c840cca597324adfcc
Source of Spectrum B-43-1322-24
Synonyms 2-{(1R,2S)-2-[(2R)-3-bromo-2-hydroxypropyl]-2-methylcyclohexyl}malononitrile
Wiley ID 1300594