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Diethyl 5-(benzyloxymethyl)-2-(4-chlorophenyl)-5-(phenylethynyl)oxolane-3,3-dicarboxylate
SpectraBase Compound ID ICSegsLZ2JN
InChI InChI=1S/C32H31ClO6/c1-3-37-29(34)32(30(35)38-4-2)22-31(20-19-24-11-7-5-8-12-24,23-36-21-25-13-9-6-10-14-25)39-28(32)26-15-17-27(33)18-16-26/h5-18,28H,3-4,21-23H2,1-2H3/t28-,31-/m1/s1
InChIKey SKFXHQOPBKZIHC-GRKNLSHJSA-N
Mol Weight 547.0 g/mol
Molecular Formula C32H31ClO6
Exact Mass 546.180916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fS7sWGfdUN
Name Diethyl 5-(benzyloxymethyl)-2-(4-chlorophenyl)-5-(phenylethynyl)oxolane-3,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H31ClO6
InChI InChI=1S/C32H31ClO6/c1-3-37-29(34)32(30(35)38-4-2)22-31(20-19-24-11-7-5-8-12-24,23-36-21-25-13-9-6-10-14-25)39-28(32)26-15-17-27(33)18-16-26/h5-18,28H,3-4,21-23H2,1-2H3/t28-,31-/m1/s1
InChIKey SKFXHQOPBKZIHC-GRKNLSHJSA-N
Literature Reference DOI 10.1021/ol400809n
Molecular Weight 547.047 g/mol
SMILES C1(C(OCC)=O)([C@@](c2ccc(cc2)Cl)(O[C@](C1)(COCc1ccccc1)C#Cc1ccccc1)[H])C(OCC)=O
SPLASH splash10-004i-3390610000-2c341b5cee6280367eac
Source of Spectrum A1-15-2262/SMS10-cis_3j
Synonyms (2R,5S)-diethyl 5-((benzyloxy)methyl)-2-(4-chlorophenyl)-5-(phenylethynyl)dihydrofuran-3,3(2H)-dicarboxylate
Wiley ID 1748603