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(E)-3-[(1S,6S)-2,2,6-trimethylcyclohexyl]-2-propenal
SpectraBase Compound ID MsB14IykTd
InChI InChI=1S/C12H20O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9-11H,4,6,8H2,1-3H3/b7-5+/t10-,11+/m0/s1
InChIKey UKIHFUQJXXELDW-KKSDUGGKSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ix1xFtJ3d0t
Name (E)-3-[(1S,6S)-2,2,6-trimethylcyclohexyl]-2-propenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9-11H,4,6,8H2,1-3H3/b7-5+/t10-,11+/m0/s1
InChIKey UKIHFUQJXXELDW-KKSDUGGKSA-N
Molecular Weight 180.291 g/mol
SMILES [C@]1(C(CCC[C@@]1(C)[H])(C)C)(\C=C\C=O)[H]
SPLASH splash10-001i-9000000000-630132dd4eae7ca91d67
Source of Spectrum F-51-2449-43
Synonyms (E)-3-[(1S,6S)-2,2,6-trimethylcyclohexyl]acrolein (E)-3-[(1S,6S)-2,2,6-trimethylcyclohexyl]prop-2-enal
Wiley ID 791250