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2-Methoxy-benzoic acid pentyl ester
SpectraBase Compound ID BdD9rQYHP1g
InChI InChI=1S/C13H18O3/c1-3-4-7-10-16-13(14)11-8-5-6-9-12(11)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey TYLMQMJLOUNOGK-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pSk8zJ1SfQ
Name 2-Methoxy-benzoic acid pentyl ester
CAS Registry Number 22708-14-1
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 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-4-7-10-16-13(14)11-8-5-6-9-12(11)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey TYLMQMJLOUNOGK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 222.284 g/mol
Nominal Mass 222 u
Quality 995
Retention Index 1686
SMILES C=1(C(=CC=CC1)OC)C(OCCCCC)=O
SPLASH splash10-000i-4900000000-2b357e061ffe7d89eef6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,2-methoxy-,pentyl ester Pentyl o-anisate Pentyl-2-methoxy benzoate Pentyl 2-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015530