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1-Methoxy-3,3,6-trimethylhepta-1,4,5-triene
SpectraBase Compound ID DGXx886qLbV
InChI InChI=1S/C11H18O/c1-10(2)6-7-11(3,4)8-9-12-5/h7-9H,1-5H3/b9-8+
InChIKey NJKGGCZMBKFAQL-CMDGGOBGSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 395mqn0pUFv
Name 1-Methoxy-3,3,6-trimethylhepta-1,4,5-triene
Alternate Name(s) (E)-1-methoxy-3,3,6-trimethylhepta-1,4,5-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-10(2)6-7-11(3,4)8-9-12-5/h7-9H,1-5H3/b9-8+
InChIKey NJKGGCZMBKFAQL-CMDGGOBGSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00110
Molecular Weight 166.264 g/mol
SMILES CC(C)=C=CC(C)(C)\C=C\OC
SPLASH splash10-00xv-9200000000-28ca041f11e66b78b384
Source of Spectrum A1-17-1002/SM3-transisomer1a
Wiley ID 1758487