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object
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_id
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3I1OQr9g7TB
spectrumID
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3I1OQr9g7TB
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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APQWCQIPZHJFAU-XVSDJDOKSA-N
SpectraBase Compound ID LGiMVohmf1F
InChI InChI=1S/C22H37NO2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23;3-2(4,5)1(6)7/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3;(H,6,7)/b7-6-,10-9-,13-12-,16-15-;
InChIKey APQWCQIPZHJFAU-XVSDJDOKSA-N
Mol Weight 461.6 g/mol
Molecular Formula C24H38F3NO4
Exact Mass 461.275293 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3I1OQr9g7TB
Name APQWCQIPZHJFAU-XVSDJDOKSA-N
Compound Number 2F
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H38F3NO4
InChI InChI=1S/C22H37NO2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23;3-2(4,5)1(6)7/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3;(H,6,7)/b7-6-,10-9-,13-12-,16-15-;
InChIKey APQWCQIPZHJFAU-XVSDJDOKSA-N
Literature Reference Author R.OTTRIA,S.CASATI,P.CIUFFREDA
Literature Reference Citation MAGN.RES.CHEM.,50,823(2012)
Literature Reference DOI 10.1002/mrc.3891
Molecular Weight 461.565 g/mol
Solvent CDCl3
Source File Reference UWLU82429
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