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Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-pentyl-
SpectraBase Compound ID L9UZuRFXzZZ
InChI InChI=1S/C21H24O7/c1-4-5-6-7-13-9-15(11-17(23)19(13)20(24)25)28-21(26)18-12(2)8-14(27-3)10-16(18)22/h8-11,22-23H,4-7H2,1-3H3,(H,24,25)
InChIKey RNPRBFCBYMVJFH-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqIeNKYSijc
Name Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-pentyl-
CAS Registry Number 120091-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-4-5-6-7-13-9-15(11-17(23)19(13)20(24)25)28-21(26)18-12(2)8-14(27-3)10-16(18)22/h8-11,22-23H,4-7H2,1-3H3,(H,24,25)
InChIKey RNPRBFCBYMVJFH-UHFFFAOYSA-N
Molecular Weight 388.416 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1C)OC)O)=O
SPLASH splash10-0229-0900000000-97560def998ba0823d69
Source of Spectrum B-41-1795-24
Synonyms 2-Hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-pentylbenzoic acid Methyl 4-(2'-hydroxy-4'-methoxy-6'-methylbenzoyloxy)-2-hydroxy-6-pentylbenzoic acid Subsphaeric acid
Wiley ID 1363779