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Benzoic acid, 3-formyl-2-hydroxy-4-methoxy-6-methyl-, ethyl ester
SpectraBase Compound ID JVfqZRmk5No
InChI InChI=1S/C12H14O5/c1-4-17-12(15)10-7(2)5-9(16-3)8(6-13)11(10)14/h5-6,14H,4H2,1-3H3
InChIKey YQMIEZNZSAHWLU-UHFFFAOYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Y3PmzrJLfN
Name Benzoic acid, 3-formyl-2-hydroxy-4-methoxy-6-methyl-, ethyl ester
Alternate Name(s) Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate 3-formyl-2-hydroxy-4-methoxy-6-methyl-benzoic acid ethyl ester Ethyl 3-methanoyl-4-methoxy-6-methyl-2-oxidanyl-benzoate 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoic acid ethyl ester
CAS Registry Number 38629-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-4-17-12(15)10-7(2)5-9(16-3)8(6-13)11(10)14/h5-6,14H,4H2,1-3H3
InChIKey YQMIEZNZSAHWLU-UHFFFAOYSA-N
Molecular Weight 238.239 g/mol
SMILES Oc1c(C=O)c(cc(C)c1C(=O)OCC)OC
SPLASH splash10-000f-1920000000-8dedb831a5dc177588e5
Source of Spectrum B-25-2180-21
Wiley ID 1240256