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(3R,4S)-Diethyl 2-((6-(methoxycarbonyl)-2-oxo-4-(thiophen-2-yl)-3,4-dihydro-2Hpyran-3-yl)methyl)malonate
SpectraBase Compound ID K3Yu3dVrjMQ
InChI InChI=1S/C19H22O8S/c1-4-25-16(20)13(17(21)26-5-2)9-12-11(15-7-6-8-28-15)10-14(19(23)24-3)27-18(12)22/h6-8,10-13H,4-5,9H2,1-3H3/t11-,12+/m1/s1
InChIKey AWZPEMGMIHUQTM-NEPJUHHUSA-N
Mol Weight 410.44 g/mol
Molecular Formula C19H22O8S
Exact Mass 410.103539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CfoClh1n6
Name (3R,4S)-Diethyl 2-((6-(methoxycarbonyl)-2-oxo-4-(thiophen-2-yl)-3,4-dihydro-2Hpyran-3-yl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O8S
InChI InChI=1S/C19H22O8S/c1-4-25-16(20)13(17(21)26-5-2)9-12-11(15-7-6-8-28-15)10-14(19(23)24-3)27-18(12)22/h6-8,10-13H,4-5,9H2,1-3H3/t11-,12+/m1/s1
InChIKey AWZPEMGMIHUQTM-NEPJUHHUSA-N
Literature Reference DOI 10.1002/adsc.201700198
Molecular Weight 410.437 g/mol
SMILES c1([C@@]2(C=C(OC([C@]2(CC(C(OCC)=O)C(OCC)=O)[H])=O)C(=O)OC)[H])cccs1
SPLASH splash10-0i0u-1593000000-d4688636e1c8c68fcda6
Source of Spectrum ASC-359-1678/SM20-6j_minor
Synonyms Diethyl 2-(((3S,4R)-6-(methoxycarbonyl)-2-oxo-4-(thiophen-2-yl)-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
Wiley ID 1807581