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benzyl 2,4-di-O-benzyl-5-chloro-2'-O-methylanziate
SpectraBase Compound ID FyN4nc8w8Qm
InChI InChI=1S/C46H49ClO7/c1-4-6-11-25-36-27-37(28-39(50-3)42(36)45(48)53-32-35-23-17-10-18-24-35)54-46(49)43-38(26-12-7-5-2)44(47)41(52-31-34-21-15-9-16-22-34)29-40(43)51-30-33-19-13-8-14-20-33/h8-10,13-24,27-29H,4-7,11-12,25-26,30-32H2,1-3H3
InChIKey UCWJYHSJUXDKGQ-UHFFFAOYSA-N
Mol Weight 749.3 g/mol
Molecular Formula C46H49ClO7
Exact Mass 748.316682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AY5TpgG2bMV
Name benzyl 2,4-di-O-benzyl-5-chloro-2'-O-methylanziate
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Formula C46H49ClO7
InChI InChI=1S/C46H49ClO7/c1-4-6-11-25-36-27-37(28-39(50-3)42(36)45(48)53-32-35-23-17-10-18-24-35)54-46(49)43-38(26-12-7-5-2)44(47)41(52-31-34-21-15-9-16-22-34)29-40(43)51-30-33-19-13-8-14-20-33/h8-10,13-24,27-29H,4-7,11-12,25-26,30-32H2,1-3H3
InChIKey UCWJYHSJUXDKGQ-UHFFFAOYSA-N
Molecular Weight 749.344 g/mol
SMILES c1(C(Oc2cc(OC)c(c(c2)CCCCC)C(OCc2ccccc2)=O)=O)c(c(Cl)c(cc1OCc1ccccc1)OCc1ccccc1)CCCCC
SPLASH splash10-0006-9000100000-2b17435d789bd1001b88
Source of Spectrum B-50-974-21
Synonyms 4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 4,6-bis(benzyloxy)-3-chloro-2-pentylbenzoate Benzyl 4-(5'-chloro-2',4'-dihydroxy-6'-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoate Benzyl 5-chloro-2'-O-methylanziate
Wiley ID 745348