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(3s,4s)-methyl-3-ethyl-4-methyl-5-oxopentanoate
SpectraBase Compound ID DK5IQKgGnvI
InChI InChI=1S/C9H16O3/c1-4-8(7(2)6-10)5-9(11)12-3/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKey IUSIFWQUUUMGNN-SFYZADRCSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCVITFji6xH
Name (3s,4s)-methyl-3-ethyl-4-methyl-5-oxopentanoate
CAS Registry Number 105704-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-4-8(7(2)6-10)5-9(11)12-3/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKey IUSIFWQUUUMGNN-SFYZADRCSA-N
Molecular Weight 172.224 g/mol
SMILES C(C[C@@]([C@@](C=O)(C)[H])(CC)[H])(=O)OC
SPLASH splash10-00xu-9400000000-a05329ecf8093922910e
Source of Spectrum F-42-2238-0
Synonyms Methyl (3S,4S)-3-ethyl-4-methyl-5-oxopentanoate
Wiley ID 1168748