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3'-hydroxy-5'-pentylphenyl 2-hydroxy-4-methoxy-6-pentylphenylbenzoate

View entire compound with spectra: 1 MS (GC)

3'-hydroxy-5'-pentylphenyl 2-hydroxy-4-methoxy-6-pentylphenylbenzoate
SpectraBase Compound ID D4DLonCnkqQ
InChI InChI=1S/C24H32O5/c1-4-6-8-10-17-12-19(25)15-21(13-17)29-24(27)23-18(11-9-7-5-2)14-20(28-3)16-22(23)26/h12-16,25-26H,4-11H2,1-3H3
InChIKey NMNCVLXWLPXGJU-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GhaSIZYttO
Name 3'-hydroxy-5'-pentylphenyl 2-hydroxy-4-methoxy-6-pentylphenylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-4-6-8-10-17-12-19(25)15-21(13-17)29-24(27)23-18(11-9-7-5-2)14-20(28-3)16-22(23)26/h12-16,25-26H,4-11H2,1-3H3
InChIKey NMNCVLXWLPXGJU-UHFFFAOYSA-N
Molecular Weight 400.515 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CCCCC)OC)O)=O)cc(c1)CCCCC
SPLASH splash10-00di-0970000000-225f47285d3547318a55
Source of Spectrum JA-50-1145-0
Synonyms 2-Hydroxy-4-methoxy-6-pentylbenzoate 3-Hydroxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-pentylbenzoate Decarboxy-perlatolic acid
Wiley ID 1369550