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(3S)-3-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-5-oxidanylidene-heptanoic acid
SpectraBase Compound ID 6vXQ8gBF1hp
InChI InChI=1S/C17H24O5/c1-5-14(18)17(2,3)15(10-16(19)20)22-11-12-6-8-13(21-4)9-7-12/h6-9,15H,5,10-11H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKey RDDRSJHSZYEDAG-HNNXBMFYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FROWDhcihSc
Name (3S)-3-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-5-oxidanylidene-heptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-5-14(18)17(2,3)15(10-16(19)20)22-11-12-6-8-13(21-4)9-7-12/h6-9,15H,5,10-11H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKey RDDRSJHSZYEDAG-HNNXBMFYSA-N
Molecular Weight 308.374 g/mol
SMILES OC(C[C@@](C(C(=O)CC)(C)C)(OCc1ccc(cc1)OC)[H])=O
SPLASH splash10-00di-0900000000-fcbbb1fdd9c37826e252
Source of Spectrum QE-8-3751-7
Synonyms (3S)-3-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-5-oxo-heptanoic acid (3S)-5-keto-4,4-dimethyl-3-p-anisyloxy-enanthic acid
Wiley ID 1557834