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CMob4GCiblf
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CMob4GCiblf
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Benzoic acid, 2,4-dihydroxy-6-pentyl-, 3-hydroxy-4-(methoxycarbonyl)-5-pentylphenyl ester
SpectraBase Compound ID HUFoqEvh8mg
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-12-18(26)14-20(27)23(16)25(30)32-19-13-17(11-9-7-5-2)22(21(28)15-19)24(29)31-3/h12-15,26-28H,4-11H2,1-3H3
InChIKey VNUNCQNKSCHPCS-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMob4GCiblf
Name Benzoic acid, 2,4-dihydroxy-6-pentyl-, 3-hydroxy-4-(methoxycarbonyl)-5-pentylphenyl ester
CAS Registry Number 64185-31-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-12-18(26)14-20(27)23(16)25(30)32-19-13-17(11-9-7-5-2)22(21(28)15-19)24(29)31-3/h12-15,26-28H,4-11H2,1-3H3
InChIKey VNUNCQNKSCHPCS-UHFFFAOYSA-N
Molecular Weight 444.524 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CCCCC)O)O)=O)cc(c1C(=O)OC)CCCCC
SPLASH splash10-0ra0-0930000000-85aa3ad7ba44167d839c
Source of Spectrum W5-35330-30206-30206
Synonyms 3-Hydroxy-4-(methoxycarbonyl)-5-pentylphenyl 2,4-dihydroxy-6-pentylbenzoate Benzoic acid, 2,4-dihydroxy-6-pentyl-, 3-hydroxy-4-(methoxycarbonyl)-phenyl ester 2,4-Dihydroxy-6-pentylbenzoic acid (3-hydroxy-4-methoxycarbonyl-5-pentylphenyl) ester (3-hydroxy-4-methoxycarbonyl-5-pentylphenyl) 2,4-dihydroxy-6-pentylbenzoate (3-hydroxy-4-methoxycarbonyl-5-pentyl-phenyl) 2,4-dihydroxy-6-pentyl-benzoate (4-methoxycarbonyl-3-oxidanyl-5-pentyl-phenyl) 2,4-bis(oxidanyl)-6-pentyl-benzoate
Wiley ID 1386027
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