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-(prop-1-en-2-yl)-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-(prop-1-en-2-yl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID ACZz15eLni9
InChI InChI=1S/C26H34O6/c1-8-30-23(27)26(24(28)31-9-2)14-19-20(15-26)25(5,6)32-22(21(19)16(3)4)17-10-12-18(29-7)13-11-17/h10-13,20,22H,3,8-9,14-15H2,1-2,4-7H3/t20-,22-/m1/s1
InChIKey RHDYSFJZJCOLNH-IFMALSPDSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O6
Exact Mass 442.235539 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 F4cFN6mcY94
Name Diethyl (3R,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-4-(prop-1-en-2-yl)-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 442.235538809 u
Formula C26H34O6
InChI InChI=1S/C26H34O6/c1-8-30-23(27)26(24(28)31-9-2)14-19-20(15-26)25(5,6)32-22(21(19)16(3)4)17-10-12-18(29-7)13-11-17/h10-13,20,22H,3,8-9,14-15H2,1-2,4-7H3/t20-,22-/m1/s1
InChIKey RHDYSFJZJCOLNH-IFMALSPDSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500181
Molecular Weight 442.552 g/mol
Quality 71
Reported Formula C26H34O6
SMILES C(C)OC(=O)C1(CC=2[C@](C(O[C@@](C2C(=C)C)(C2=CC=C(C=C2)OC)[H])(C)C)(C1)[H])C(=O)OCC
SPLASH splash10-022l-0925400000-e52930cad51269ff8a62
Source of Spectrum QE-21-SM7-6a (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.31 (Hex/EtOAc, 5:1)
Wiley ID 1906435