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Diethyl 3-(3-(benzyloxy)propyl)-3-methyl-1-phenyl-3,5-dihydrocyclopenta[c]pyran-6,6(7H)-dicarboxylate
SpectraBase Compound ID 6OXngDXQq8d
InChI InChI=1S/C31H36O6/c1-4-35-28(32)31(29(33)36-5-2)20-25-19-30(3,17-12-18-34-22-23-13-8-6-9-14-23)37-27(26(25)21-31)24-15-10-7-11-16-24/h6-11,13-16,19H,4-5,12,17-18,20-22H2,1-3H3
InChIKey TZZYFXCOGILVDL-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C31H36O6
Exact Mass 504.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYFHey9nfj1
Name Diethyl 3-(3-(benzyloxy)propyl)-3-methyl-1-phenyl-3,5-dihydrocyclopenta[c]pyran-6,6(7H)-dicarboxylate
Appearance Pale yellow oil
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Exact Mass 504.251188873 u
Formula C31H36O6
InChI InChI=1S/C31H36O6/c1-4-35-28(32)31(29(33)36-5-2)20-25-19-30(3,17-12-18-34-22-23-13-8-6-9-14-23)37-27(26(25)21-31)24-15-10-7-11-16-24/h6-11,13-16,19H,4-5,12,17-18,20-22H2,1-3H3
InChIKey TZZYFXCOGILVDL-UHFFFAOYSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503293
Molecular Weight 504.623 g/mol
Quality 50
Reported Formula C31H36O6
SMILES C(C)OC(=O)C1(CC=2C(=C(OC(C2)(C)CCCOCC2=CC=CC=C2)C2=CC=CC=C2)C1)C(=O)OCC
SPLASH splash10-0a4l-9601000000-97abcf3f748382b4222a
Source of Spectrum QE-21-SM20-5j (DOI: 10.1002/chem.201503293)
Wiley ID 1907280