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Butylcinnamic aldehyde, (2E)-
SpectraBase Compound ID J5TrEzMv5Ow
InChI InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+
InChIKey GFBCBQNBXRPRQD-JLHYYAGUSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnrsuB1PL12
Name Butylcinnamic aldehyde, (2E)-
CAS Registry Number 7492-44-6
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 188.120115134 u
Formula C13H16O
InChI InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+
InChIKey GFBCBQNBXRPRQD-JLHYYAGUSA-N
Molecular Weight 188.270 g/mol
Number of Peaks 50
RI1 1557
RI2 1234
RI3 1528
RI4 1510
SMILES c1(ccccc1)\C=C\(C=O)CCCC
SPLASH splash10-016r-3900000000-46ae69e59f8535cce594
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 Hexanal, 2-(phenylmethylene), (2E)-
Wiley ID LM_FFNSC3_3143