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2,7-Dioxabicyclo[3.2.0]hept-3-ene-3-carboxylic acid, 6-phenyl-, ethyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
SpectraBase Compound ID Dgs75BktzZn
InChI InChI=1S/C14H14O4/c1-2-16-13(15)11-8-10-12(18-14(10)17-11)9-6-4-3-5-7-9/h3-8,10,12,14H,2H2,1H3/t10-,12-,14+/m0/s1
InChIKey QRYMCHLRFSXJLR-VHRBIJSZSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lm7yO2bZh7
Name 2,7-Dioxabicyclo[3.2.0]hept-3-ene-3-carboxylic acid, 6-phenyl-, ethyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
CAS Registry Number 122902-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4
InChI InChI=1S/C14H14O4/c1-2-16-13(15)11-8-10-12(18-14(10)17-11)9-6-4-3-5-7-9/h3-8,10,12,14H,2H2,1H3/t10-,12-,14+/m0/s1
InChIKey QRYMCHLRFSXJLR-VHRBIJSZSA-N
Molecular Weight 246.262 g/mol
SMILES [C@]12([C@@](OC(=C2)C(=O)OCC)([H])O[C@]1(c1ccccc1)[H])[H]
SPLASH splash10-03dj-5900000000-956f18781eb50369d35e
Source of Spectrum J-54-4723-0
Synonyms Ethyl (1S,5S,6R)-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene-3-carboxylate [1-(R,S),5(R,S)]-3-(ethoxymethyl)-6(R,S)-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene
Wiley ID 1248964