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3-Propyl-2-(1-propylbutyl)hexanenitrile
SpectraBase Compound ID 3rag0OQaZbu
InChI InChI=1S/C16H31N/c1-5-9-14(10-6-2)16(13-17)15(11-7-3)12-8-4/h14-16H,5-12H2,1-4H3
InChIKey SSPDEAWVHGKUHX-UHFFFAOYSA-N
Mol Weight 237.43 g/mol
Molecular Formula C16H31N
Exact Mass 237.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TDMdP23Z76
Name 3-Propyl-2-(1-propylbutyl)hexanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H31N
InChI InChI=1S/C16H31N/c1-5-9-14(10-6-2)16(13-17)15(11-7-3)12-8-4/h14-16H,5-12H2,1-4H3
InChIKey SSPDEAWVHGKUHX-UHFFFAOYSA-N
Molecular Weight 237.431 g/mol
SMILES C(C(CCC)CCC)(C(CCC)CCC)C#N
SPLASH splash10-0002-9300000000-32f927790fa136951440
Source of Spectrum F-56-5440-0
Synonyms 2-Heptan-4-yl-3-propylhexanenitrile
Wiley ID 857811