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2-(S)-Phenoxybutanoic Acid (R)-Pantolactone Ester
SpectraBase Compound ID 9UmKSZwqPSa
InChI InChI=1S/C16H20O5/c1-4-12(20-11-8-6-5-7-9-11)14(17)21-13-15(18)19-10-16(13,2)3/h5-9,12-13H,4,10H2,1-3H3/t12-,13+/m0/s1
InChIKey UPDXXJCGPFYARM-QWHCGFSZSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gdoqq6GUkhM
Name 2-(S)-Phenoxybutanoic Acid (R)-Pantolactone Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-4-12(20-11-8-6-5-7-9-11)14(17)21-13-15(18)19-10-16(13,2)3/h5-9,12-13H,4,10H2,1-3H3/t12-,13+/m0/s1
InChIKey UPDXXJCGPFYARM-QWHCGFSZSA-N
Molecular Weight 292.331 g/mol
SMILES [C@]1(OC([C@@](Oc2ccccc2)(CC)[H])=O)(C(OCC1(C)C)=O)[H]
SPLASH splash10-000l-9810000000-9e9f5b85939ee3cd0fc0
Source of Spectrum J-59-4685-1
Wiley ID 1295416