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Dichloroacetic acid, tridec-2-ynyl ester
SpectraBase Compound ID o4ZDUZqJze
InChI InChI=1S/C15H24Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15(18)14(16)17/h14H,2-10,13H2,1H3
InChIKey DVLQUHLPIXUEAP-UHFFFAOYSA-N
Mol Weight 307.26 g/mol
Molecular Formula C15H24Cl2O2
Exact Mass 306.115335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bor8wVGUBRf
Name Dichloroacetic acid, tridec-2-ynyl ester
Carrier Gas Helium (54.1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.115335411 u
Formula C15H24Cl2O2
GC Column SH-Rxi-5silMS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C15H24Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15(18)14(16)17/h14H,2-10,13H2,1H3
InChIKey DVLQUHLPIXUEAP-UHFFFAOYSA-N
Inlet Type Split ratio (50:05)
Instrument Name Shimadzu TQ8050 plus
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300332
Molecular Weight 307.261 g/mol
Quality 793
SMILES C(C(Cl)Cl)(=O)OCC#CCCCCCCCCCC
SPLASH splash10-00l6-9100000000-04dfd47eeabd56294e3c
Source of Spectrum CBD-20-SM9-9-2 (DOI: 10.1002/cbdv.202300332)
Wiley ID 1909933