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Acetamide, N-[3-(acetyloxy)-6-[4-(acetyloxy)-5-phenylpentyl]tetrahydro-2-oxo-2H-pyran-4-yl]-
SpectraBase Compound ID AJNugSn0hQl
InChI InChI=1S/C22H29NO7/c1-14(24)23-20-13-19(30-22(27)21(20)29-16(3)26)11-7-10-18(28-15(2)25)12-17-8-5-4-6-9-17/h4-6,8-9,18-21H,7,10-13H2,1-3H3,(H,23,24)
InChIKey CFVOCEJLLZEXSD-UHFFFAOYSA-N
Mol Weight 419.47 g/mol
Molecular Formula C22H29NO7
Exact Mass 419.194402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSQsOPN7XYP
Name Acetamide, N-[3-(acetyloxy)-6-[4-(acetyloxy)-5-phenylpentyl]tetrahydro-2-oxo-2H-pyran-4-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.194402271 u
Formula C22H29NO7
InChI InChI=1S/C22H29NO7/c1-14(24)23-20-13-19(30-22(27)21(20)29-16(3)26)11-7-10-18(28-15(2)25)12-17-8-5-4-6-9-17/h4-6,8-9,18-21H,7,10-13H2,1-3H3,(H,23,24)
InChIKey CFVOCEJLLZEXSD-UHFFFAOYSA-N
Molecular Weight 419.474 g/mol
SMILES C1(C(OC(CC1NC(=O)C)CCCC(OC(=O)C)CC=1C=CC=CC1)=O)OC(=O)C