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BARBATIC-ACID;AUTHENTIC-SAMPLE
SpectraBase Compound ID 2x6IIqk8TjH
InChI InChI=1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23)
InChIKey NMKBRSYSHBPUPY-UHFFFAOYSA-N
Mol Weight 360.36 g/mol
Molecular Formula C19H20O7
Exact Mass 360.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zNrzpgnmcR
Name 2-Hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoic acid
CAS Registry Number 17636-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O7
InChI InChI=1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23)
InChIKey NMKBRSYSHBPUPY-UHFFFAOYSA-N
Molecular Weight 360.362 g/mol
SMILES Oc1c(c(cc(c1C(=O)O)C)OC(c1c(c(C)c(cc1C)OC)O)=O)C
SPLASH splash10-004i-3900000000-b2c2f099b8c8495b480c
Source of Spectrum B-28-1122-0
Synonyms 2-Hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylphenyl)-oxomethoxy]-3,6-dimethylbenzoic acid 4-(4-Methoxy-3,6-dimethyl-2-oxidanyl-phenyl)carbonyloxy-3,6-dimethyl-2-oxidanyl-benzoic acid 2-Hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-3,6-dimethylbenzoic acid
Wiley ID 1348252