Debug Info

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JfZCf9NkSeS
spectrumID
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JfZCf9NkSeS
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Methyl 3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexane-1-carboxylate
SpectraBase Compound ID 8NddYvOovI4
InChI InChI=1S/C17H32O3/c1-12-9-10-15(16(18)20-5)13(2)14(12)8-6-7-11-17(3,4)19/h12-15,19H,6-11H2,1-5H3/t12?,13?,14-,15-/m0/s1
InChIKey WUQOHZHQVJMSLC-WUCCLRPBSA-N
Mol Weight 284.4 g/mol
Molecular Formula C17H32O3
Exact Mass 284.235145 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfZCf9NkSeS
Name Methyl 3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexane-1-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O3
InChI InChI=1S/C17H32O3/c1-12-9-10-15(16(18)20-5)13(2)14(12)8-6-7-11-17(3,4)19/h12-15,19H,6-11H2,1-5H3/t12?,13?,14-,15-/m0/s1
InChIKey WUQOHZHQVJMSLC-WUCCLRPBSA-N
Molecular Weight 284.440 g/mol
SMILES OC(CCCC[C@@]1(C([C@@](C(=O)OC)(CCC1C)[H])C)[H])(C)C
SPLASH splash10-0a4i-9310000000-497222e2a3386a16f2a5
Source of Spectrum QE-7-530-22
Synonyms Methyl 3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexane-1-carboxylate isomer (1S,3S)-3-(5-Hydroxy-5-methyl-hexyl)-2,4-dimethyl-cyclohexanecarboxylic acid methyl ester Methyl 3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexanecarboxylate
Wiley ID 845296
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