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4-Methoxy-benzoic acid iso-butyl ester
SpectraBase Compound ID B4mkQMIIdmZ
InChI InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKey HQYSDZUOGBUYJA-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 H4lldlFJEHu
Name 4-Methoxy-benzoic acid iso-butyl ester
CAS Registry Number 27739-28-2
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/c1-9(2)8-15-12(13)10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKey HQYSDZUOGBUYJA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.257 g/mol
Nominal Mass 208 u
Quality 913
Retention Index 1634
SMILES C=1(C(OCC(C)C)=O)C=CC(=CC1)OC
SPLASH splash10-0udr-3900000000-8e5485678c91cb84bc89
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Methoxybenzoic acid,2-methylpropyl ester 3-Methoxybenzoic acid,2-methylpropyl ester iso-Butyl-4-methoxy benzoate Isobutyl 4-methoxybenzoate
Technique GC/MS
Wiley ID DD2024_022286