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Pentanal, 3-(acetyloxy)-2,2,4-trimethyl-
SpectraBase Compound ID 520MtsxBhLA
InChI InChI=1S/C10H18O3/c1-7(2)9(13-8(3)12)10(4,5)6-11/h6-7,9H,1-5H3
InChIKey RWEMELXNTKSTQD-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsWMYKN2DSF
Name Pentanal, 3-(acetyloxy)-2,2,4-trimethyl-
CAS Registry Number 77142-76-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(2)9(13-8(3)12)10(4,5)6-11/h6-7,9H,1-5H3
InChIKey RWEMELXNTKSTQD-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES CC(C(OC(C)=O)C(C)C)(C)C=O
SPLASH splash10-006x-9100000000-ab1720c343e439720012
Synonyms 1-Isopropyl-2,2-dimethyl-3-oxopropyl acetate (2,2,4-trimethyl-1-oxidanylidene-pentan-3-yl) ethanoate (2,2,4-trimethyl-1-oxopentan-3-yl) acetate Acetic acid (1-isopropyl-3-keto-2,2-dimethyl-propyl) ester Acetic acid (2,2,4-trimethyl-1-oxopentan-3-yl) ester
Wiley ID 1488433