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SODIUM-2,6-DIMETHYLHEPTANYL-SULFATE

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SODIUM-2,6-DIMETHYLHEPTANYL-SULFATE
SpectraBase Compound ID DFlF9wj2IWq
InChI InChI=1S/C9H20O4S.Na/c1-8(2)5-4-6-9(3)7-13-14(10,11)12;/h8-9H,4-7H2,1-3H3,(H,10,11,12);/q;+1/p-1
InChIKey YZTURPYRBUJXJI-UHFFFAOYSA-M
Mol Weight 246.3 g/mol
Molecular Formula C9H19NaO4S
Exact Mass 246.090175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HP0M8Z8qQI9
Name SODIUM-2,6-DIMETHYLHEPTANYL-SULFATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H19NaO4S
InChI InChI=1S/C9H20O4S.Na/c1-8(2)5-4-6-9(3)7-13-14(10,11)12;/h8-9H,4-7H2,1-3H3,(H,10,11,12);/q;+1/p-1
InChIKey YZTURPYRBUJXJI-UHFFFAOYSA-M
Literature Reference Author A.CRISPINO,A.DEGIULIO,S.DEROSA,S.DESTEFANO,A.MILONE,N.ZAVODN IK
Literature Reference Citation J.NAT.PROD.,57,1575(1994)
Literature Reference DOI 10.1021/np50113a018
Molecular Weight 246.297 g/mol
Solvent CD3OD
Source File Reference UWVP5708