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u-3-Hydroxy-4-methylhexyl Acetate
SpectraBase Compound ID GTy3cnD3uxQ
InChI InChI=1S/C9H18O3/c1-4-7(2)9(11)5-6-12-8(3)10/h7,9,11H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKey YGRBYXSRIDZSFB-IONNQARKSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HQSrQyJB67
Name u-3-Hydroxy-4-methylhexyl Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-4-7(2)9(11)5-6-12-8(3)10/h7,9,11H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKey YGRBYXSRIDZSFB-IONNQARKSA-N
Literature Reference DOI 10.1002/cbdv.200690103
Molecular Weight 174.240 g/mol
SMILES O[C@](CCOC(C)=O)([C@](CC)(C)[H])[H]
SPLASH splash10-0a4m-9100000000-a9e488d00e55965232b0
Source of Spectrum CBD-3-954-u_22
Synonyms (3R,4S)-3-hydroxy-4-methylhexyl acetate
Wiley ID 1793329