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(5R,8R)-1-(Benzoyloxy)-5,8-dodecanediol Cyclic Sulfate
SpectraBase Compound ID 3tSDCgK13wN
InChI InChI=1S/C19H28O6S/c1-2-3-11-17-13-14-18(25-26(21,22)24-17)12-7-8-15-23-19(20)16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-15H2,1H3
InChIKey RXFJQORMIXZNDA-UHFFFAOYSA-N
Mol Weight 384.49 g/mol
Molecular Formula C19H28O6S
Exact Mass 384.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGv8FDkOQ7M
Name (5R,8R)-1-(Benzoyloxy)-5,8-dodecanediol Cyclic Sulfate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O6S
InChI InChI=1S/C19H28O6S/c1-2-3-11-17-13-14-18(25-26(21,22)24-17)12-7-8-15-23-19(20)16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-15H2,1H3
InChIKey RXFJQORMIXZNDA-UHFFFAOYSA-N
Molecular Weight 384.487 g/mol
SMILES C1(OS(OC(CC1)CCCCOC(=O)c1ccccc1)(=O)=O)CCCC
SPLASH splash10-0a4i-0900000000-3fddf580a30f43254dee
Source of Spectrum J-57-5188-47
Synonyms 4-(7-butyl-2,2-dioxido-1,3,2-dioxathiepan-4-yl)butyl benzoate
Wiley ID 1361408