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1-Isopropyl-4-methylhexyl acetate
SpectraBase Compound ID CKP7xwUV61R
InChI InChI=1S/C12H24O2/c1-6-10(4)7-8-12(9(2)3)14-11(5)13/h9-10,12H,6-8H2,1-5H3
InChIKey JEBRLPRSVRFFNS-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXYhJRdlQUW
Name 1-Isopropyl-4-methylhexyl acetate
Alternate Name(s) 2,6-Dimethyloctan-3-yl acetate 2,6-Dimethyloctan-3-yl ethanoate 3-Octanol, 2,6-dimethyl-, acetate Acetic acid (1-isopropyl-4-methyl-hexyl) ester Acetic acid 2,6-dimethyloctan-3-yl ester
CAS Registry Number 123232-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-6-10(4)7-8-12(9(2)3)14-11(5)13/h9-10,12H,6-8H2,1-5H3
InChIKey JEBRLPRSVRFFNS-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CC(C(CCC(C)CC)OC(=O)C)C
SPLASH splash10-0006-9000000000-dab3652c041ad6c1bf53
Source of Spectrum HE-1986-709-0
Wiley ID 1198010