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Hexyl phenylacetate
SpectraBase Compound ID 94vt6RUdwB4
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey MTAHGWGAEGVCLS-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jcbnw5Mnc7Y
Name Benzeneacetic acid hexyl ester
Carrier Gas (0.74 ml/min)
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Exact Mass 220.146329882 u
Formula C14H20O2
GC Column Zebron ZB-5MS (20 m x 0.18 mm, film thickness 0.18 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey MTAHGWGAEGVCLS-UHFFFAOYSA-N
Inlet Type Split (10.0)
Instrument Name Shimadzu QP2012-SE
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201135
Molecular Weight 220.312 g/mol
Quality 412
SMILES C1=CC(=CC=C1)CC(OCCCCCC)=O
SPLASH splash10-0006-9200000000-bebf1cbadb1b93bff1a1
Source of Spectrum QE-28-SM48-Figure S 23-3 (DOI: 10.1002/chem.202201135)
Wiley ID 1900609