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1-Acetyl-4-butoxybutyl 4-Methoxybenzoate
SpectraBase Compound ID EDJBCoeKYYx
InChI InChI=1S/C18H26O5/c1-4-5-12-22-13-6-7-17(14(2)19)23-18(20)15-8-10-16(21-3)11-9-15/h8-11,17H,4-7,12-13H2,1-3H3
InChIKey XQGPCAFMRHDULO-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf5jyKch2hM
Name 1-Acetyl-4-butoxybutyl 4-Methoxybenzoate
Alternate Name(s) 6-Butoxy-2-oxohexan-3-yl 4-methoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-4-5-12-22-13-6-7-17(14(2)19)23-18(20)15-8-10-16(21-3)11-9-15/h8-11,17H,4-7,12-13H2,1-3H3
InChIKey XQGPCAFMRHDULO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200890194
Molecular Weight 322.401 g/mol
SMILES C(c1ccc(cc1)OC)(=O)OC(CCCOCCCC)C(=O)C
SPLASH splash10-002o-9400000000-ab692f1483aa1aa2fb5f
Source of Spectrum H-91-1825-14
Wiley ID 1785717