5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate

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Systematic / IUPAC Name: [5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate

ID: Reference7989

Other Names: Pentanoic acid, 3-methyl-, 5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester

Formula: C18H28O6

Spectral Data

5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 264
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2018 8:42:49 AM
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Identificators

InChI InChI=1S/C18H28O6/c1-6-11(4)7-15(21)24-18-16(10(2)3)14(23-12(5)20)8-13(9-19)17(18)22/h8,10-11,14,16,18-19H,6-7,9H2,1-5H3
InChI Key MPXXSICHRNCHHK-UHFFFAOYSA-N
Canonical SMILES CCC(C)CC(=O)OC1C(C(C=C(C1=O)CO)OC(=O)C)C(C)C
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Other Names Pentanoic acid, 3-methyl-, 5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester

In Other Databases

PubChem 44715773
ChemSpider 22370185