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Pentanoic acid, 3,4-dimethyl-, 3-ethyl-4-methylpentyl ester, [S-(R*,R*)]-
SpectraBase Compound ID IiWfzyKO2e4
InChI InChI=1S/C15H30O2/c1-7-14(12(4)5)10-15(16)17-9-8-13(6)11(2)3/h11-14H,7-10H2,1-6H3/t13-,14?/m0/s1
InChIKey XHNJPFPCBSTBDG-LSLKUGRBSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0uVtt4wjZc
Name Pentanoic acid, 3,4-dimethyl-, 3-ethyl-4-methylpentyl ester, [S-(R*,R*)]-
CAS Registry Number 105704-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-7-14(12(4)5)10-15(16)17-9-8-13(6)11(2)3/h11-14H,7-10H2,1-6H3/t13-,14?/m0/s1
InChIKey XHNJPFPCBSTBDG-LSLKUGRBSA-N
Molecular Weight 242.403 g/mol
SMILES C(CC(C(C)C)CC)(=O)OCC[C@@](C(C)C)(C)[H]
SPLASH splash10-001l-9100000000-fd612b5bf53d0ca5d7c8
Source of Spectrum F-42-2242-0
Synonyms (3S)-3,4-dimethylpentyl 3-ethyl-4-methylpentanoate (SS)-3',4'-dimethyl-pentyl-3-ethyl-4-methylpentanote 3,4-Dimethylpentyl 3S-ethyl-4S-methyl-pentanoate
Wiley ID 1245469