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3-Acetyl-5-(carboisobutoxy)-2-cyclohexen-1-one
SpectraBase Compound ID 4dtTuBqXPzY
InChI InChI=1S/C13H18O4/c1-8(2)7-17-13(16)11-4-10(9(3)14)5-12(15)6-11/h5,8,11H,4,6-7H2,1-3H3
InChIKey BEOYYBHNCDDNMZ-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EJmldCBkhP
Name 3-Acetyl-5-(carboisobutoxy)-2-cyclohexen-1-one
CAS Registry Number 60891-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-8(2)7-17-13(16)11-4-10(9(3)14)5-12(15)6-11/h5,8,11H,4,6-7H2,1-3H3
InChIKey BEOYYBHNCDDNMZ-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C1(=CC(=O)CC(C(OCC(C)C)=O)C1)C(=O)C
SPLASH splash10-052o-9600000000-7ce67f3609122658f493
Source of Spectrum J-45-1253-0
Synonyms 3-Acetyl-5-(carboisobutoxt)-2-cyclohexen-1-one isobutyl 3-acetyl-5-oxo-3-cyclohexene-1-carboxylate
Wiley ID 1240472