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4-(2'-Chloro-3'-methylpentyloxy]-phenyl benzoate
SpectraBase Compound ID 6EdwawXYNro
InChI InChI=1S/C19H21ClO3/c1-3-14(2)18(20)13-22-16-9-11-17(12-10-16)23-19(21)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3
InChIKey IWXKAUHKEZZHBU-UHFFFAOYSA-N
Mol Weight 332.83 g/mol
Molecular Formula C19H21ClO3
Exact Mass 332.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ii0wpLJyNKR
Name 4-(2'-Chloro-3'-methylpentyloxy]-phenyl benzoate
Alternate Name(s) 4-[(2-chloro-3-methylpentyl)oxy]phenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21ClO3
InChI InChI=1S/C19H21ClO3/c1-3-14(2)18(20)13-22-16-9-11-17(12-10-16)23-19(21)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3
InChIKey IWXKAUHKEZZHBU-UHFFFAOYSA-N
Molecular Weight 332.827 g/mol
SMILES C(Oc1ccc(OCC(Cl)C(CC)C)cc1)(=O)c1ccccc1
SPLASH splash10-0a6r-7901000000-6a1f5b21d72c25e15701
Source of Spectrum OL-17-354-4
Wiley ID 1611997