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(4R,5S)-5-Methoxy-4-methyl-3-oxo-hept-6-enoicacid methyl ester
SpectraBase Compound ID 3buyLRbtGRr
InChI InChI=1S/C10H16O4/c1-5-9(13-3)7(2)8(11)6-10(12)14-4/h5,7,9H,1,6H2,2-4H3/t7-,9-/m0/s1
InChIKey PELYXEHKCLGUNH-CBAPKCEASA-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 5rmSU69orwb
Name (4R,5S)-5-Methoxy-4-methyl-3-oxo-hept-6-enoicacid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-5-9(13-3)7(2)8(11)6-10(12)14-4/h5,7,9H,1,6H2,2-4H3/t7-,9-/m0/s1
InChIKey PELYXEHKCLGUNH-CBAPKCEASA-N
Literature Reference DOI 10.1021/ol701459j
Molecular Weight 200.234 g/mol
SMILES C(CC(OC)=O)([C@@]([C@@](OC)(C=C)[H])(C)[H])=O
SPLASH splash10-00di-9100000000-4bbe23634337d3d983dd
Source of Spectrum A1-9-3425/SMS3-8
Synonyms (4R,5S)-methyl 5-methoxy-4-methyl-3-oxohept-6-enoate (4R,5S)-5-methoxy-4-methyl-3-oxo-6-heptenoic acid methyl ester Methyl (4R,5S)-5-methoxy-4-methyl-3-oxohept-6-enoate Methyl (4R,5S)-5-methoxy-4-methyl-3-oxo-hept-6-enoate Methyl (4R,5S)-5-methoxy-4-methyl-3-oxidanylidene-hept-6-enoate
Wiley ID 1758545