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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 FguzKNmHG34
Name Butyl 4-methoxybenzoate
CAS Registry Number 4239-68-3
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 208.109944372 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 208.257 g/mol
Nominal Mass 208 u
Quality 994
Retention Index 1645
SMILES C=1(C(OCCCC)=O)C=CC(=CC1)OC
SPLASH splash10-0udr-2900000000-eef651dc95ecceed9c13
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-methoxy-,butyl ester n-Butyl anisate n-Butyl-4-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015122