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(2S,3R,4R)-2-Hydroxy-4-methyl-3-phenyl-.delta.-valerolactone

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

(2S,3R,4R)-2-Hydroxy-4-methyl-3-phenyl-.delta.-valerolactone
SpectraBase Compound ID L1YmZaxBUu6
InChI InChI=1S/C12H14O3/c1-8-7-15-12(14)11(13)10(8)9-5-3-2-4-6-9/h2-6,8,10-11,13H,7H2,1H3/t8-,10+,11-/m0/s1
InChIKey ARHQMEFTAIHGRG-GDPRMGEGSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GWtWviLhHN
Name (2S,3R,4R)-2-Hydroxy-4-methyl-3-phenyl-.delta.-valerolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8-7-15-12(14)11(13)10(8)9-5-3-2-4-6-9/h2-6,8,10-11,13H,7H2,1H3/t8-,10+,11-/m0/s1
InChIKey ARHQMEFTAIHGRG-GDPRMGEGSA-N
Molecular Weight 206.241 g/mol
SMILES C1([C@]([C@@](C2=CC=CC=C2)([C@](CO1)(C)[H])[H])(O)[H])=O