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4-((1S)-2,2,3-trimethylcyclopentyl)butanal
SpectraBase Compound ID 7AOXD1HK4Ez
InChI InChI=1S/C12H22O/c1-10-7-8-11(12(10,2)3)6-4-5-9-13/h9-11H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKey QJAISDMMEIDHTD-DTIOYNMSSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Cr7TMzWRo4
Name 4-((1S)-2,2,3-trimethylcyclopentyl)butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-10-7-8-11(12(10,2)3)6-4-5-9-13/h9-11H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKey QJAISDMMEIDHTD-DTIOYNMSSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Molecular Weight 182.307 g/mol
SMILES C1CC(C([C@]1(CCCC=O)[H])(C)C)C
SPLASH splash10-067l-9200000000-10b4db8b08669d358b47
Sample Comments 82% ee
Source of Spectrum JP5839191B2
Wiley ID 1853064