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(3S)-methyl3-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)propanoate
SpectraBase Compound ID YS5qRxOS7F
InChI InChI=1S/C10H16O4/c1-10(2)7(6-9(12)14-10)4-5-8(11)13-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey XEJOYWPDWOTPGE-ZETCQYMHSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rI1QkW5gjC
Name (3S)-methyl3-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-10(2)7(6-9(12)14-10)4-5-8(11)13-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey XEJOYWPDWOTPGE-ZETCQYMHSA-N
Instrument Name Shimadzu GC-17A-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.201800557
Molecular Weight 200.234 g/mol
SMILES [C@]1(CC(OC1(C)C)=O)(CCC(OC)=O)[H]
SPLASH splash10-052f-9100000000-c350027addb072e77137
Source of Spectrum CBD-16-SM4-7
Thin-Layer Chromatography Rf = 0.63 (hexane/EtOAc, 1:1)
Wiley ID 1835411