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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
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10BeZIoTMxf
Name Dodecanenitrile
CAS Registry Number 2437-25-4
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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
Molecular Weight 181.323 g/mol
Number of Peaks 50
RI1 1487
RI2 1165
RI3 1338
RI4 1298
SMILES C(CCCCCCCCCCC)#N
SPLASH splash10-0537-9200000000-2e8a50ef71cac28293d4
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Dodecanenitrile
Wiley ID LM_FFNSC3_1270
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