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5'-(Benzyloxycarbonylmethyl)-2-methansulfonyloxy-2'-methoxy-5-(methoxycarbonylmethyl)biphenyl
SpectraBase Compound ID 3VOWWQY8zLN
InChI InChI=1S/C26H26O8S/c1-31-23-11-9-20(16-26(28)33-17-18-7-5-4-6-8-18)13-21(23)22-14-19(15-25(27)32-2)10-12-24(22)34-35(3,29)30/h4-14H,15-17H2,1-3H3
InChIKey WKASBLRJOLRYOZ-UHFFFAOYSA-N
Mol Weight 498.55 g/mol
Molecular Formula C26H26O8S
Exact Mass 498.134839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1f0hcQ3EPxw
Name 5'-(Benzyloxycarbonylmethyl)-2-methansulfonyloxy-2'-methoxy-5-(methoxycarbonylmethyl)biphenyl
Alternate Name(s) methyl {5'-[2-(benzyloxy)-2-oxoethyl]-2'-methoxy-6-[(methylsulfonyl)oxy][1,1'-biphenyl]-3-yl}acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O8S
InChI InChI=1S/C26H26O8S/c1-31-23-11-9-20(16-26(28)33-17-18-7-5-4-6-8-18)13-21(23)22-14-19(15-25(27)32-2)10-12-24(22)34-35(3,29)30/h4-14H,15-17H2,1-3H3
InChIKey WKASBLRJOLRYOZ-UHFFFAOYSA-N
Molecular Weight 498.546 g/mol
SMILES c1(OS(=O)(=O)C)c(-c2c(ccc(c2)CC(=O)OCc2ccccc2)OC)cc(cc1)CC(=O)OC
SPLASH splash10-03dj-0009400000-1ca42021782efcd53cd1
Source of Spectrum F-52-14742-16
Wiley ID 799590