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(2S*,3R*)-methyl-2-(trans-4-methoxy-2-oxobut-3-enyl)-2,3-dimethyl-5-oxocyclopentane-1-carboxylate
SpectraBase Compound ID C3Wi5JMMNYz
InChI InChI=1S/C14H20O5/c1-9-7-11(16)12(13(17)19-4)14(9,2)8-10(15)5-6-18-3/h5-6,9,12H,7-8H2,1-4H3/b6-5+/t9-,12?,14+/m1/s1
InChIKey ADHUPVAAUVSYPW-YAJBGALISA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWERGYLGPV8
Name (2S*,3R*)-methyl-2-(trans-4-methoxy-2-oxobut-3-enyl)-2,3-dimethyl-5-oxocyclopentane-1-carboxylate
CAS Registry Number 118197-98-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-9-7-11(16)12(13(17)19-4)14(9,2)8-10(15)5-6-18-3/h5-6,9,12H,7-8H2,1-4H3/b6-5+/t9-,12?,14+/m1/s1
InChIKey ADHUPVAAUVSYPW-YAJBGALISA-N
Molecular Weight 268.309 g/mol
SMILES [C@@]1(C(C(=O)C[C@]1(C)[H])C(=O)OC)(CC(\C=C\OC)=O)C
SPLASH splash10-000i-9500000000-be58899b9404d553fe42
Source of Spectrum KC-1988-477-22
Synonyms Methyl (2S,3R)-2-[(3E)-4-methoxy-2-oxo-3-butenyl]-2,3-dimethyl-5-oxocyclopentanecarboxylate
Wiley ID 1272022