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PQAIFZOMCDLISR-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

PQAIFZOMCDLISR-UHFFFAOYSA-N
SpectraBase Compound ID 4rEWQyEBbNT
InChI InChI=1S/C17H18O8S/c1-23-13-9-8-11(10-14(13)24-2)16(26(20,21)22)15(17(18)19)25-12-6-4-3-5-7-12/h3-10,15-16H,1-2H3,(H,18,19)(H,20,21,22)
InChIKey PQAIFZOMCDLISR-UHFFFAOYSA-N
Mol Weight 382.38 g/mol
Molecular Formula C17H18O8S
Exact Mass 382.072239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91zLu138bvY
Name PQAIFZOMCDLISR-UHFFFAOYSA-N
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18O8S
InChI InChI=1S/C17H18O8S/c1-23-13-9-8-11(10-14(13)24-2)16(26(20,21)22)15(17(18)19)25-12-6-4-3-5-7-12/h3-10,15-16H,1-2H3,(H,18,19)(H,20,21,22)
InChIKey PQAIFZOMCDLISR-UHFFFAOYSA-N
Literature Reference Author B.L.LUTNAES,B.O.MYRVOLD,R.A.LAUTEN,M.M.ENDESHAW
Literature Reference Citation MAGN.RES.CHEM.,46,299(2008)
Literature Reference DOI 10.1002/mrc.2184
Molecular Weight 382.385 g/mol
Solvent CD3OD
Source File Reference UWIR17232