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3-carboxymethyl-3,4-dihydroxy-5-phenylpentanoic acid, .beta.-lactone
SpectraBase Compound ID E9ErQlFg2z2
InChI InChI=1S/C13H14O5/c14-10(6-9-4-2-1-3-5-9)13(7-11(15)16)8-12(17)18-13/h1-5,10,14H,6-8H2,(H,15,16)
InChIKey QOKSQKXRHVXZOW-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30s0b6eBa45
Name 3-carboxymethyl-3,4-dihydroxy-5-phenylpentanoic acid, .beta.-lactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c14-10(6-9-4-2-1-3-5-9)13(7-11(15)16)8-12(17)18-13/h1-5,10,14H,6-8H2,(H,15,16)
InChIKey QOKSQKXRHVXZOW-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES OC(CC1(C(Cc2ccccc2)O)OC(C1)=O)=O
SPLASH splash10-0mvl-3970000000-e4bba790bc283d3454b9
Source of Spectrum LQ-1992-3418-0
Synonyms 2-[2-(1-hydroxy-2-phenylethyl)-4-oxooxetan-2-yl]acetic acid
Wiley ID 1253080