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methyl (3R)-(2E)-3-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)prop-2-enoate
SpectraBase Compound ID Fh349SkMd3W
InChI InChI=1S/C10H14O4/c1-10(2)7(6-9(12)14-10)4-5-8(11)13-3/h4-5,7H,6H2,1-3H3/b5-4+/t7-/m0/s1
InChIKey JHXZKHLIHDKJPJ-KPJROHGDSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AR6f64PAbbV
Name methyl (3R)-(2E)-3-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)prop-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-10(2)7(6-9(12)14-10)4-5-8(11)13-3/h4-5,7H,6H2,1-3H3/b5-4+/t7-/m0/s1
InChIKey JHXZKHLIHDKJPJ-KPJROHGDSA-N
Instrument Name Shimadzu GC-17A-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.201800557
Molecular Weight 198.218 g/mol
SMILES [C@]1(CC(OC1(C)C)=O)(\C=C\C(OC)=O)[H]
SPLASH splash10-000x-9300000000-e4fb2fb28d6c6361510b
Source of Spectrum CBD-16-SM4-6
Synonyms methyl (3R)-(E)-3-(2,2-dimetil-5-oxotetrahydrofuran-3-il)acrylate
Thin-Layer Chromatography Rf = 0.42 (hexane/EtOAc, 2:1)
Wiley ID 1835410