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4-CHLOROPHENOXYACETIC ACID -ISOOCTYLESTER
SpectraBase Compound ID JplsJONR2m
InChI InChI=1S/C16H23ClO3/c1-13(2)6-4-3-5-11-19-16(18)12-20-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKey XORGDBPFYSZADY-UHFFFAOYSA-N
Mol Weight 298.81 g/mol
Molecular Formula C16H23ClO3
Exact Mass 298.133572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bBTOqwsENd
Name 4-CHLOROPHENOXYACETIC ACID -ISOOCTYLESTER
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 298.133572298 u
Formula C16H23ClO3
InChI InChI=1S/C16H23ClO3/c1-13(2)6-4-3-5-11-19-16(18)12-20-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKey XORGDBPFYSZADY-UHFFFAOYSA-N
Molecular Weight 298.810 g/mol
Nominal Mass 298 u
Number of Peaks 59
SMILES C(C)(C)CCCCCOC(COc1ccc(Cl)cc1)=O
SPLASH splash10-0596-9300000000-36fe38df8c79d6439e8b
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 6-methylheptyl (4-chlorophenoxy)acetate
Technique GC/MS
Wiley ID WID_MSPA_3760