Debug Info

object
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_id
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IHtj87ez0XL
spectrumID
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IHtj87ez0XL
cost
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specType
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131072
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dbLocation
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WMS3X:133051:1
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Mass Spectrum (GC)
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compound
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Cyclohexanol, 3-methyl-2-(1-methylethyl)-, acetate, (1.alpha.,2.alpha.,3.alpha.)-
SpectraBase Compound ID 7mIaohDXK5A
InChI InChI=1S/C12H22O2/c1-8(2)12-9(3)6-5-7-11(12)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
InChIKey DZSYCEVAORAKRL-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHtj87ez0XL
Name 2-Isopropyl-3-methylcyclohexyl acetate
CAS Registry Number 54845-18-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-8(2)12-9(3)6-5-7-11(12)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
InChIKey DZSYCEVAORAKRL-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES CC1CCCC(C1C(C)C)OC(=O)C
SPLASH splash10-000t-9200000000-693c5ca23b6603cdda92
Source of Spectrum JZ-1992-4009-0
Synonyms Cyclohexanol, 3-methyl-2-(1-methylethyl)-, acetate, (1.alpha.,2.alpha.,3.alpha.)- (3-methyl-2-propan-2-yl-cyclohexyl) ethanoate (3-methyl-2-propan-2-ylcyclohexyl) acetate Acetic acid (2-isopropyl-3-methyl-cyclohexyl) ester Acetic acid (3-methyl-2-propan-2-ylcyclohexyl) ester
Wiley ID 1195950
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