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(anti)-Methyl 4-acetyl-3-(4-methoxyphenyl)-2-methyl-5-oxohexanoate
SpectraBase Compound ID 1zkqnFpVq5Z
InChI InChI=1S/C17H22O5/c1-10(17(20)22-5)15(16(11(2)18)12(3)19)13-6-8-14(21-4)9-7-13/h6-10,15-16H,1-5H3/t10-,15+/m1/s1
InChIKey HEVVXRJMSCVRTI-BMIGLBTASA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXD80VMXVBW
Name (anti)-Methyl 4-acetyl-3-(4-methoxyphenyl)-2-methyl-5-oxohexanoate
Alternate Name(s) (2R,3S)-methyl 4-acetyl-3-(4-methoxyphenyl)-2-methyl-5-oxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-10(17(20)22-5)15(16(11(2)18)12(3)19)13-6-8-14(21-4)9-7-13/h6-10,15-16H,1-5H3/t10-,15+/m1/s1
InChIKey HEVVXRJMSCVRTI-BMIGLBTASA-N
Literature Reference DOI 10.1002/adsc.200700600
Molecular Weight 306.358 g/mol
SMILES c1cc([C@@](C(C(=O)C)C(=O)C)([C@](C(OC)=O)(C)[H])[H])ccc1OC
SPLASH splash10-005c-4960000000-6340c41a6daae5db0875
Source of Spectrum ASC-350-1125/SM5-anti_28
Wiley ID 1766194