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Diethyl (3R,7aR)-1,1-dimethyl-3-(naphthalen-2-yl)-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)-1,1-dimethyl-3-(naphthalen-2-yl)-4-(prop-1-en-2-yl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID 8DRkOEYrhcX
InChI InChI=1S/C29H34O5/c1-7-32-26(30)29(27(31)33-8-2)16-22-23(17-29)28(5,6)34-25(24(22)18(3)4)21-14-13-19-11-9-10-12-20(19)15-21/h9-15,23,25H,3,7-8,16-17H2,1-2,4-6H3/t23-,25-/m1/s1
InChIKey GXOWZNDYZBTEAG-ILBGXUMGSA-N
Mol Weight 462.6 g/mol
Molecular Formula C29H34O5
Exact Mass 462.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJkpMmISx4R
Name Diethyl (3R,7aR)-1,1-dimethyl-3-(naphthalen-2-yl)-4-(prop-1-en-2-yl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
Appearance Colourless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.240624190 u
Formula C29H34O5
InChI InChI=1S/C29H34O5/c1-7-32-26(30)29(27(31)33-8-2)16-22-23(17-29)28(5,6)34-25(24(22)18(3)4)21-14-13-19-11-9-10-12-20(19)15-21/h9-15,23,25H,3,7-8,16-17H2,1-2,4-6H3/t23-,25-/m1/s1
InChIKey GXOWZNDYZBTEAG-ILBGXUMGSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500181
Molecular Weight 462.586 g/mol
Quality 76
Reported Formula C29H34O5
SMILES C(C)OC(=O)C1(CC=2[C@](C(O[C@@](C2C(=C)C)(C2=CC3=C(C=C2)C=CC=C3)[H])(C)C)(C1)[H])C(=O)OCC
SPLASH splash10-0bt9-0311900000-4e21ac4cecfd6770ab20
Source of Spectrum QE-21-SM9-6e (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.61 (Hex/EtOAc, 5:1)
Wiley ID 1906439