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S-(+)-METHYL-6-HYDROXYHEPTANOATE
SpectraBase Compound ID Iqf4KchJhbS
InChI InChI=1S/C8H16O3/c1-7(9)5-3-4-6-8(10)11-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKey QKAGPZRSTTUJIU-ZETCQYMHSA-N
Mol Weight 160.21 g/mol
Molecular Formula C8H16O3
Exact Mass 160.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PeIVGchb3I
Name (S)-Methyl 6-Hydroxyheptanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O3
InChI InChI=1S/C8H16O3/c1-7(9)5-3-4-6-8(10)11-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKey QKAGPZRSTTUJIU-ZETCQYMHSA-N
Molecular Weight 160.213 g/mol
SMILES O[C@](CCCCC(=O)OC)(C)[H]
SPLASH splash10-000i-9000000000-74855afe864b73c33c35
Source of Spectrum SO-0-663-4
Synonyms methyl (6S)-6-hydroxyheptanoate
Wiley ID 1540900