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2-[(3,4-dimethylphenoxy)methyl]benzoic acid

View entire compound with spectra: 1 MS (GC)

2-[(3,4-dimethylphenoxy)methyl]benzoic acid
SpectraBase Compound ID foSDJwzmTw
InChI InChI=1S/C16H16O3/c1-11-7-8-14(9-12(11)2)19-10-13-5-3-4-6-15(13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey RSUJHHWCAZHBFN-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XCCKsxEBzq
Name 2-[(3,4-dimethylphenoxy)methyl]benzoic acid
Alternate Name(s) Benzoic acid, 2-(3,4-dimethylphenoxymethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-11-7-8-14(9-12(11)2)19-10-13-5-3-4-6-15(13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey RSUJHHWCAZHBFN-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES OC(=O)c1c(COc2ccc(c(c2)C)C)cccc1
SPLASH splash10-00di-5900000000-24aeb20e2dc98e9a4544
Wiley ID 1447300