For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Diethyl (3R,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate

View entire compound with spectra: 1 MS (GC)

Diethyl (3R,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID H34vcB5d3RV
InChI InChI=1S/C31H36O6/c1-7-35-28(32)31(29(33)36-8-2)18-24-25(19-31)30(4,5)37-27(22-14-16-23(34-6)17-15-22)26(24)20(3)21-12-10-9-11-13-21/h9-17,25,27H,3,7-8,18-19H2,1-2,4-6H3/t25-,27-/m1/s1
InChIKey AZUNGSBVBJZMKZ-XNMGPUDCSA-N
Mol Weight 504.6 g/mol
Molecular Formula C31H36O6
Exact Mass 504.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4qEdeeBPAMk
Name Diethyl (3R,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.251188873 u
Formula C31H36O6
InChI InChI=1S/C31H36O6/c1-7-35-28(32)31(29(33)36-8-2)18-24-25(19-31)30(4,5)37-27(22-14-16-23(34-6)17-15-22)26(24)20(3)21-12-10-9-11-13-21/h9-17,25,27H,3,7-8,18-19H2,1-2,4-6H3/t25-,27-/m1/s1
InChIKey AZUNGSBVBJZMKZ-XNMGPUDCSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500181
Molecular Weight 504.623 g/mol
Quality 93
Reported Formula C31H36O6
SMILES C(OC(=O)C1(CC=2[C@](C(O[C@@](C2C(=C)C2=CC=CC=C2)(C2=CC=C(C=C2)OC)[H])(C)C)(C1)[H])C(=O)OCC)C
SPLASH splash10-0fki-0920340000-c8ced2d6af2e872be15a
Source of Spectrum QE-21-SM12-6k (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.36 (Hex/EtOAc, 5:1)
Wiley ID 1906444