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4-[(3S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butanal
SpectraBase Compound ID 1VNdDUpYZpG
InChI InChI=1S/C13H22O/c1-12(2)10(6-4-5-7-14)8-11-9-13(11,12)3/h7,10-11H,4-6,8-9H2,1-3H3/t10-,11?,13?/m0/s1
InChIKey JHULNYMKINPPCQ-ZBOXLXRLSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3hQaqKBz2y
Name 4-[(3S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-12(2)10(6-4-5-7-14)8-11-9-13(11,12)3/h7,10-11H,4-6,8-9H2,1-3H3/t10-,11?,13?/m0/s1
InChIKey JHULNYMKINPPCQ-ZBOXLXRLSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Molecular Weight 194.318 g/mol
SMILES C1C2C(C([C@]1(CCCC=O)[H])(C)C)(C)C2
SPLASH splash10-053u-9400000000-b82523fb2da18f204220
Sample Comments 82% ee
Source of Spectrum JP5839191B2
Wiley ID 1853068