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Benzoic acid, 3-chloro-2-hydroxy-4-methoxy-6-pentyl-, 3-hydroxy-5-pentyl-4-[(phenylmethoxy)carbonyl]phenyl ester
SpectraBase Compound ID 1wCRZnAAoEt
InChI InChI=1S/C32H37ClO7/c1-4-6-9-15-22-17-24(19-25(34)27(22)31(36)39-20-21-13-11-8-12-14-21)40-32(37)28-23(16-10-7-5-2)18-26(38-3)29(33)30(28)35/h8,11-14,17-19,34-35H,4-7,9-10,15-16,20H2,1-3H3
InChIKey DPHOURKQEZHFSL-UHFFFAOYSA-N
Mol Weight 569.1 g/mol
Molecular Formula C32H37ClO7
Exact Mass 568.222781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nfZRsjy6Dl
Name Benzoic acid, 3-chloro-2-hydroxy-4-methoxy-6-pentyl-, 3-hydroxy-5-pentyl-4-[(phenylmethoxy)carbonyl]phenyl ester
CAS Registry Number 120092-00-4
Comments Less than 3 mono-isotopic peaks
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Formula C32H37ClO7
InChI InChI=1S/C32H37ClO7/c1-4-6-9-15-22-17-24(19-25(34)27(22)31(36)39-20-21-13-11-8-12-14-21)40-32(37)28-23(16-10-7-5-2)18-26(38-3)29(33)30(28)35/h8,11-14,17-19,34-35H,4-7,9-10,15-16,20H2,1-3H3
InChIKey DPHOURKQEZHFSL-UHFFFAOYSA-N
Molecular Weight 569.094 g/mol
SMILES Oc1cc(OC(c2c(c(c(cc2CCCCC)OC)Cl)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCC
SPLASH splash10-0006-9000000000-cc2d46aa98fc41604fc4
Source of Spectrum B-41-1794-6
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 3-chloro-2-hydroxy-4-methoxy-6-pentylbenzoate Benzyl 3-chloroperlatolate Benzyl 4-(3'-chloro-2'-hydroxy-4'-methoxy-6'-pentylbenzoyloxy)-2-hydroxy-6-pentylbenzoate
Wiley ID 1407522