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(S)-1-[(Benzyloxy)methoxy]-2-phenylheptan-3-one

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

(S)-1-[(Benzyloxy)methoxy]-2-phenylheptan-3-one
SpectraBase Compound ID 8Zda9qmoHq5
InChI InChI=1S/C21H26O3/c1-2-3-14-21(22)20(19-12-8-5-9-13-19)16-24-17-23-15-18-10-6-4-7-11-18/h4-13,20H,2-3,14-17H2,1H3/t20-/m1/s1
InChIKey YMXSBPMRAOOPTM-HXUWFJFHSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ludou01CLV
Name (S)-1-[(Benzyloxy)methoxy]-2-phenylheptan-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-2-3-14-21(22)20(19-12-8-5-9-13-19)16-24-17-23-15-18-10-6-4-7-11-18/h4-13,20H,2-3,14-17H2,1H3/t20-/m1/s1
InChIKey YMXSBPMRAOOPTM-HXUWFJFHSA-N
Molecular Weight 326.436 g/mol
SMILES [C@@](C(=O)CCCC)(C=1C=CC=CC1)(COCOCC=1C=CC=CC1)[H]