Debug Info

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81axNQq1IUk
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81axNQq1IUk
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methyl (E)-oct-4-enoate
SpectraBase Compound ID 6JX3dP5XeIW
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKey SSPBQLGVUAXSMH-AATRIKPKSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81axNQq1IUk
Name methyl (E)-oct-4-enoate
Carrier Gas Helium
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
GC Column HP-1 (50 m x 0.2 mm, film thickness 0.33 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKey SSPBQLGVUAXSMH-AATRIKPKSA-N
Inlet Type Split (1:100)
Instrument Name Agilent 6890N-Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200817
Molecular Weight 156.225 g/mol
Quality 964
SMILES C(\C=C\CCC(=O)OC)CC
SPLASH splash10-00e9-9200000000-47b6750b55111be2e3a6
Source of Spectrum CBD-20-SM48-5b (DOI: 10.1002/cbdv.202200817)
Wiley ID 1901377
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