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2-Methoxy-benzoic acid isobutyl ester
SpectraBase Compound ID FhMFeFcpHTp
InChI InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-6-4-5-7-11(10)14-3/h4-7,9H,8H2,1-3H3
InChIKey ODCRXIIYCSXTLW-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 2mQgzACQvTc
Name 2-Methoxy-benzoic acid isobutyl ester
CAS Registry Number 81763-24-8
Classification Pharmaceutical drug precursor
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)10-6-4-5-7-11(10)14-3/h4-7,9H,8H2,1-3H3
InChIKey ODCRXIIYCSXTLW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.257 g/mol
Nominal Mass 208 u
Quality 986
Retention Index 1550
SMILES C=1(C(=CC=CC1)OC)C(OCC(C)C)=O
SPLASH splash10-000i-3900000000-a8ad1f932f9ad050962c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,2-methoxy-,isobutyl ester 2-Methoxybenzoic acid 2-methylpropyl ester
Technique GC/MS
Wiley ID DD2024_015045