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(3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoic acid
SpectraBase Compound ID GzNRgFDQrDS
InChI InChI=1S/C7H12O5/c1-7(11,3-5(8)9)4-6(10)12-2/h11H,3-4H2,1-2H3,(H,8,9)/t7-/m0/s1
InChIKey UNHGPASVFNKZNR-ZETCQYMHSA-N
Mol Weight 176.17 g/mol
Molecular Formula C7H12O5
Exact Mass 176.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCvq77ZMDjx
Name (3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoic acid
Alternate Name(s) (3S)-3-hydroxy-5-methoxy-3-methyl-5-oxo-pentanoic acid (3S)-5-methoxy-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O5
InChI InChI=1S/C7H12O5/c1-7(11,3-5(8)9)4-6(10)12-2/h11H,3-4H2,1-2H3,(H,8,9)/t7-/m0/s1
InChIKey UNHGPASVFNKZNR-ZETCQYMHSA-N
Molecular Weight 176.168 g/mol
SMILES OC(C[C@@](CC(=O)OC)(O)C)=O
SPLASH splash10-0006-9000000000-db006cea6facf82af96a
Source of Spectrum KC-0-2485-5
Wiley ID 831344