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benzyl 3-(5'-benzyloxy-2'-methoxycarbonyl-3'-propylphenoxy)-6-hydroxy-4-methoxy-2-pentylbenzoate
SpectraBase Compound ID 3CPtjYYHrAM
InChI InChI=1S/C38H42O8/c1-5-7-10-20-30-35(38(41)45-25-27-18-13-9-14-19-27)31(39)23-33(42-3)36(30)46-32-22-29(44-24-26-16-11-8-12-17-26)21-28(15-6-2)34(32)37(40)43-4/h8-9,11-14,16-19,21-23,39H,5-7,10,15,20,24-25H2,1-4H3
InChIKey WBHFXXCFWHTTDY-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C38H42O8
Exact Mass 626.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9puQtRVd0O
Name benzyl 3-(5'-benzyloxy-2'-methoxycarbonyl-3'-propylphenoxy)-6-hydroxy-4-methoxy-2-pentylbenzoate
Alternate Name(s) benzyl 3-[5-(benzyloxy)-2-(methoxycarbonyl)-3-propylphenoxy]-6-hydroxy-4-methoxy-2-pentylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42O8
InChI InChI=1S/C38H42O8/c1-5-7-10-20-30-35(38(41)45-25-27-18-13-9-14-19-27)31(39)23-33(42-3)36(30)46-32-22-29(44-24-26-16-11-8-12-17-26)21-28(15-6-2)34(32)37(40)43-4/h8-9,11-14,16-19,21-23,39H,5-7,10,15,20,24-25H2,1-4H3
InChIKey WBHFXXCFWHTTDY-UHFFFAOYSA-N
Molecular Weight 626.746 g/mol
SMILES Oc1c(c(c(Oc2c(c(CCC)cc(c2)OCc2ccccc2)C(=O)OC)c(c1)OC)CCCCC)C(OCc1ccccc1)=O
SPLASH splash10-002f-4900001000-754b411093ab2686744d
Source of Spectrum JA-50-1101-0
Wiley ID 1411909