2,4-Dibenzoxy-6-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]benzoic acid methyl ester

SpectraBase Compound ID	AtbTRWTPZvw
InChI	InChI=1S/C36H46O5S2/c1-28(37)14-12-21-36(42-22-13-23-43-36)20-11-5-10-19-31-24-32(40-26-29-15-6-3-7-16-29)25-33(34(31)35(38)39-2)41-27-30-17-8-4-9-18-30/h3-4,6-9,15-18,24-25,28,37H,5,10-14,19-23,26-27H2,1-2H3
InChIKey	LDZDGSXWUDZDQR-UHFFFAOYSA-N Google Search
Mol Weight	622.9 g/mol
Molecular Formula	C36H46O5S2
Exact Mass	622.278667 g/mol

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SpectraBase Spectrum ID	4hZqQ7hswcb
Name	2,4-Dibenzoxy-6-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]benzoic acid methyl ester
Alternate Name(s)	2-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]-4,6-bis(phenylmethoxy)benzoic acid methyl ester Methyl 2,4-dibenzyloxy-6-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]benzoate Methyl 2-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]-4,6-bis(phenylmethoxy)benzoate Methyl 2-[5-[2-(4-oxidanylpentyl)-1,3-dithian-2-yl]pentyl]-4,6-bis(phenylmethoxy)benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H46O5S2
InChI	InChI=1S/C36H46O5S2/c1-28(37)14-12-21-36(42-22-13-23-43-36)20-11-5-10-19-31-24-32(40-26-29-15-6-3-7-16-29)25-33(34(31)35(38)39-2)41-27-30-17-8-4-9-18-30/h3-4,6-9,15-18,24-25,28,37H,5,10-14,19-23,26-27H2,1-2H3
InChIKey	LDZDGSXWUDZDQR-UHFFFAOYSA-N
Molecular Weight	622.879 g/mol
SMILES	OC(CCCC1(CCCCCc2c(c(cc(c2)OCc2ccccc2)OCc2ccccc2)C(=O)OC)SCCCS1)C
SPLASH	splash10-03ea-0507409000-f16b3a128070e62d9b8e
Source of Spectrum	AH-132-809-9
Wiley ID	849875