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Neral nitrile
SpectraBase Compound ID Gp8WaZ6PBMe
InChI InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-
InChIKey HLCSDJLATUNSSI-YFHOEESVSA-N
Mol Weight 149.24 g/mol
Molecular Formula C10H15N
Exact Mass 149.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ruOBy8lP7N
Name Neral nitrile
Source of Sample SAFC Cat.no. W512508
CAS Registry Number 31983-27-4
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 149.120449487 u
Formula C10H15N
InChI InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-
InChIKey HLCSDJLATUNSSI-YFHOEESVSA-N
Molecular Weight 149.237 g/mol
Number of Peaks 50
RI1 1220
RI2 898
RI5 1196
SMILES C\C(=C\C#N)CCC=C(C)C
SPLASH splash10-014l-9000000000-90a9948fb6f9d9a57bc1
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 2,6-Octadienenitrile, 3,7-dimethyl-, (2Z)-
Wiley ID LM_FFNSC3_934