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(S)-(4-butoxyphenyl)(1-phthalimdoethyl)-ketone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S)-(4-butoxyphenyl)(1-phthalimdoethyl)-ketone
SpectraBase Compound ID 3iDrJsNx78l
InChI InChI=1S/C21H21NO4/c1-3-4-13-26-16-11-9-15(10-12-16)19(23)14(2)22-20(24)17-7-5-6-8-18(17)21(22)25/h5-12,14H,3-4,13H2,1-2H3/t14-/m0/s1
InChIKey VUDXKAQOZHKFBM-AWEZNQCLSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KlL048GHNP
Name (S)-(4-Butoxyphenyl)(1-phthalimdoethyl)-ketone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.147058156 u
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-3-4-13-26-16-11-9-15(10-12-16)19(23)14(2)22-20(24)17-7-5-6-8-18(17)21(22)25/h5-12,14H,3-4,13H2,1-2H3/t14-/m0/s1
InChIKey VUDXKAQOZHKFBM-AWEZNQCLSA-N
Molecular Weight 351.402 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)[C@](C(C=1C=CC(=CC1)OCCCC)=O)(C)[H])=O