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(2S,3R)-2,3-Epoxy-7-hydroxyheptyl 4-phenylbenzoate

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

(2S,3R)-2,3-Epoxy-7-hydroxyheptyl 4-phenylbenzoate
SpectraBase Compound ID IXmjfMKWVJB
InChI InChI=1S/C20H22O4/c21-13-5-4-8-18-19(24-18)14-23-20(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,21H,4-5,8,13-14H2/t18-,19+/m1/s1
InChIKey NSRYRASOBIJLTO-MOPGFXCFSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsxnYRd5s8x
Name (2S,3R)-2,3-Epoxy-7-hydroxyheptyl 4-phenylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.151809184 u
Formula C20H22O4
InChI InChI=1S/C20H22O4/c21-13-5-4-8-18-19(24-18)14-23-20(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,21H,4-5,8,13-14H2/t18-,19+/m1/s1
InChIKey NSRYRASOBIJLTO-MOPGFXCFSA-N
Molecular Weight 326.392 g/mol
SMILES [C@@]1(O[C@@]1(CCCCO)[H])(COC(C=1C=CC(=CC1)C=1C=CC=CC1)=O)[H]