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2-cyclohexen-1-one 1,4-di-o-(4-biphenylylmethyl)-l-threitol ketal
SpectraBase Compound ID LRGIRmO35qn
InChI InChI=1S/C36H36O4/c1-4-10-30(11-5-1)32-18-14-28(15-19-32)24-37-26-34-35(40-36(39-34)22-8-3-9-23-36)27-38-25-29-16-20-33(21-17-29)31-12-6-2-7-13-31/h1-2,4-8,10-22,34-35H,3,9,23-27H2
InChIKey GSYRIWVNJJTFGC-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C36H36O4
Exact Mass 532.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6X1okgMiKio
Name 2-cyclohexen-1-one 1,4-di-o-(4-biphenylylmethyl)-l-threitol ketal
CAS Registry Number 125250-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36O4
InChI InChI=1S/C36H36O4/c1-4-10-30(11-5-1)32-18-14-28(15-19-32)24-37-26-34-35(40-36(39-34)22-8-3-9-23-36)27-38-25-29-16-20-33(21-17-29)31-12-6-2-7-13-31/h1-2,4-8,10-22,34-35H,3,9,23-27H2
InChIKey GSYRIWVNJJTFGC-UHFFFAOYSA-N
Molecular Weight 532.680 g/mol
SMILES C12(OC(COCc3ccc(cc3)-c3ccccc3)C(O2)COCc2ccc(cc2)-c2ccccc2)C=CCCC1
SPLASH splash10-014i-0910000000-1421c09c6dcc391896ec
Source of Spectrum J-55-2049-3
Synonyms 2,3-bis[([1,1'-biphenyl]-4-ylmethoxy)methyl]-1,4-dioxaspiro[4.5]dec-6-ene
Wiley ID 1403667