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Diethyl (3R,7aR)-3-isopropyl-1,1-dimethyl-4-(prop-1-en-2-yl)-3,5,7,7a-tetrahydrocyclopenta[c]-pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID EWTuRATfnPS
InChI InChI=1S/C22H34O5/c1-9-25-19(23)22(20(24)26-10-2)11-15-16(12-22)21(7,8)27-18(14(5)6)17(15)13(3)4/h14,16,18H,3,9-12H2,1-2,4-8H3/t16-,18-/m1/s1
InChIKey QVUAAEPLNFHXGO-SJLPKXTDSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDDSxOedP15
Name Diethyl (3R,7aR)-3-isopropyl-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 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-9-25-19(23)22(20(24)26-10-2)11-15-16(12-22)21(7,8)27-18(14(5)6)17(15)13(3)4/h14,16,18H,3,9-12H2,1-2,4-8H3/t16-,18-/m1/s1
InChIKey QVUAAEPLNFHXGO-SJLPKXTDSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500181
Molecular Weight 378.509 g/mol
Quality 21
Reported Formula C22H34O5
SMILES C(C)OC(=O)C1(CC=2[C@](C(O[C@@](C2C(=C)C)(C(C)C)[H])(C)C)(C1)[H])C(=O)OCC
SPLASH splash10-000i-0469000000-f1e65efe986e147ff035
Source of Spectrum QE-21-SM11-6i (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.62 (Hex/EtOAc, 5:1)
Wiley ID 1906442