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(2R,4S,6R)-2,4,6-trimethylnonanenitrile
SpectraBase Compound ID LxRX78A0kg4
InChI InChI=1S/C12H23N/c1-5-6-10(2)7-11(3)8-12(4)9-13/h10-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1
InChIKey WBAVHDKTSQVFRC-GRYCIOLGSA-N
Mol Weight 181.32 g/mol
Molecular Formula C12H23N
Exact Mass 181.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53hJH5o1fk
Name (2R,4S,6R)-2,4,6-trimethylnonanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23N
InChI InChI=1S/C12H23N/c1-5-6-10(2)7-11(3)8-12(4)9-13/h10-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1
InChIKey WBAVHDKTSQVFRC-GRYCIOLGSA-N
Molecular Weight 181.323 g/mol
SMILES C(#N)[C@@](C[C@](C[C@@](CCC)(C)[H])(C)[H])(C)[H]
SPLASH splash10-0aos-9400000000-a2db99085dd57c6681b2
Source of Spectrum F-70-1826-79
Synonyms 4,6-Dimethylnonan-2-nitrile
Wiley ID 1596393