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(2R,6S,9S)-2-(2-(Benzyloxy)ethyl)-9-methoxy-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID 1af9oswb2WO
InChI InChI=1S/C19H26O5/c1-21-18-7-9-19(23-14-18)12-16(20)11-17(24-19)8-10-22-13-15-5-3-2-4-6-15/h2-6,17-18H,7-14H2,1H3/t17-,18+,19+/m1/s1
InChIKey CLLBRMPCQOLWFK-QYZOEREBSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FmnCEGevmd
Name (2R,6S,9S)-2-(2-(Benzyloxy)ethyl)-9-methoxy-1,7-dioxaspiro[5.5]undecan-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.178023932 u
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-21-18-7-9-19(23-14-18)12-16(20)11-17(24-19)8-10-22-13-15-5-3-2-4-6-15/h2-6,17-18H,7-14H2,1H3/t17-,18+,19+/m1/s1
InChIKey CLLBRMPCQOLWFK-QYZOEREBSA-N
Molecular Weight 334.412 g/mol
SMILES [C@]12(OC[C@](CC2)(OC)[H])CC(=O)C[C@@](CCOCC2=CC=CC=C2)(O1)[H]