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Butyl 4-methoxybenzoate
SpectraBase Compound ID 2AynXEdjS67
InChI InChI=1S/C12H16O3/c1-3-4-9-15-12(13)10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey DXKMHDQQRQRYCI-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MZBfcorzZ2
Name Butyl 4-methoxybenzoate
CAS Registry Number 6946-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-4-9-15-12(13)10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey DXKMHDQQRQRYCI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200606044
Molecular Weight 208.257 g/mol
SMILES C(c1ccc(cc1)OC)(=O)OCCCC
SPLASH splash10-0udr-0900000000-6483d695b50c1f7fd498
Source of Spectrum ASC-348-1255/SM1-1_1
Synonyms 4-Methoxybenzoic acid butyl ester Benzoic acid, 4-methoxy-, butyl ester n-Butyl anisate
Wiley ID 1764909