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(+/-)-4-(trans-4'-hydroxy-4'-methyl-rel-1'-cyclohexyl)pentanal
SpectraBase Compound ID 4lfgIBSEwDC
InChI InChI=1S/C12H22O2/c1-10(4-3-9-13)11-5-7-12(2,14)8-6-11/h9-11,14H,3-8H2,1-2H3/t10?,11-,12-
InChIKey JDYVKNVJHUONOV-YWRZDDHQSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IdIVr8YqMg
Name (+/-)-4-(trans-4'-hydroxy-4'-methyl-rel-1'-cyclohexyl)pentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-10(4-3-9-13)11-5-7-12(2,14)8-6-11/h9-11,14H,3-8H2,1-2H3/t10?,11-,12-
InChIKey JDYVKNVJHUONOV-YWRZDDHQSA-N
Literature Reference DOI 10.1002/hlca.19800630109
Molecular Weight 198.306 g/mol
SMILES O[C@]1(CC[C@@](CC1)(C(C)CCC=O)[H])C
SPLASH splash10-05fu-9200000000-f3c74107fad0435e4c4a
Source of Spectrum H-63-91-29
Synonyms (S)-4-((1r,4S)-4-hydroxy-4-methylcyclohexyl)pentanal
Wiley ID 1797427