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Dodecanenitrile

View entire compound with spectra: 7 NMR, 5 FTIR, 1 Raman, 9 MS (GC), and 2 Near IR

Dodecanenitrile
SpectraBase Compound ID 3cHpZbJv8RU
InChI InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey VXCUURYYWGCLIH-UHFFFAOYSA-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 2IIxexZ6nQx
Name Decylacetonitrile
CAS Registry Number 2437-25-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23N
InChI InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey VXCUURYYWGCLIH-UHFFFAOYSA-N
Molecular Weight 181.323 g/mol
SMILES CCCCCCCCCCCC#N
SPLASH splash10-0535-9200000000-18432ed7941988cfc292
Source of Spectrum E-34-27-14
Synonyms Dodecanoic acid,nitrile Lauric acid nitrile Lauric nitrile n-Undecyl cyanide Nitrile 12 Undecyl cyanide Dodecanenitrile AI3-00311 BRN 0970348 EINECS 219-440-1 NSC 1804
Wiley ID 1177662