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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 DBMed2WjtTA
Name dodecanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.183049745 u
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
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611940
Molecular Weight 181.323 g/mol
Quality 1000
SMILES C(CCCCCCCCCCC)#N
SPLASH splash10-000w-9300000000-6573b296a54db9a56d6e
Source of Spectrum ACI-56-SM6-1 (DOI: 10.1002/anie.201611940)
Wiley ID 1895625