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Diethyl (3R,7aR)-3-(4-chlorophenyl)-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-chlorophenyl)-1,1-dimethyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID 6zoarDREWzO
InChI InChI=1S/C30H33ClO5/c1-6-34-27(32)30(28(33)35-7-2)17-23-24(18-30)29(4,5)36-26(21-13-15-22(31)16-14-21)25(23)19(3)20-11-9-8-10-12-20/h8-16,24,26H,3,6-7,17-18H2,1-2,4-5H3/t24-,26-/m1/s1
InChIKey KQQQTAUIWVAZIQ-AOYPEHQESA-N
Mol Weight 509.0 g/mol
Molecular Formula C30H33ClO5
Exact Mass 508.201652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85vDLaxdMKu
Name Diethyl (3R,7aR)-3-(4-chlorophenyl)-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 508.201651858 u
Formula C30H33ClO5
InChI InChI=1S/C30H33ClO5/c1-6-34-27(32)30(28(33)35-7-2)17-23-24(18-30)29(4,5)36-26(21-13-15-22(31)16-14-21)25(23)19(3)20-11-9-8-10-12-20/h8-16,24,26H,3,6-7,17-18H2,1-2,4-5H3/t24-,26-/m1/s1
InChIKey KQQQTAUIWVAZIQ-AOYPEHQESA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500181
Molecular Weight 509.042 g/mol
Quality 37
Reported Formula C30H33O5Cl
SMILES C(OC(=O)C1(CC=2[C@](C(O[C@@](C2C(=C)C2=CC=CC=C2)(C2=CC=C(C=C2)Cl)[H])(C)C)(C1)[H])C(=O)OCC)C
SPLASH splash10-0fk9-0903410000-61c191a1a5c530f31188
Source of Spectrum QE-21-SM13-6m (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.39 (Hex/EtOAc, 5:1)
Wiley ID 1906446