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Benzoic acid,2-methoxy-,butyl ester
SpectraBase Compound ID 9NQi5hePLlY
InChI InChI=1S/C12H16O3/c1-3-4-9-15-12(13)10-7-5-6-8-11(10)14-2/h5-8H,3-4,9H2,1-2H3
InChIKey PEPUAWXAGBAMGU-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 DmT2gRnegIC
Name 2-Methoxy-benzoic acid butyl ester
CAS Registry Number 2364-62-7
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)10-7-5-6-8-11(10)14-2/h5-8H,3-4,9H2,1-2H3
InChIKey PEPUAWXAGBAMGU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.257 g/mol
Nominal Mass 208 u
Quality 978
Retention Index 1600
SMILES C=1(C(=CC=CC1)OC)C(OCCCC)=O
SPLASH splash10-000i-2900000000-b437095d36b7ac854ecb
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,2-methoxy-,butyl ester Butyl-2-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015035