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CIS-(E)-4-METHYL-2-(3-METHYLBUTA-1,3-DIENYL)-OXEPANE
SpectraBase Compound ID 1MzVo066b2f
InChI InChI=1S/C12H20O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h6-7,11-12H,1,4-5,8-9H2,2-3H3/b7-6+/t11-,12-/m0/s1
InChIKey RLBHQLPVVYXAQJ-KZQRZKTQSA-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 3AzxO3XW9Vz
Name rac-cis-( E)-4-Methyl-2-(3-methylbuta-1,3-dienyl)oxepane
Alternate Name(s) (2R,4S)-4-methyl-2-((E)-3-methylbuta-1,3-dien-1-yl)oxepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h6-7,11-12H,1,4-5,8-9H2,2-3H3/b7-6+/t11-,12-/m0/s1
InChIKey RLBHQLPVVYXAQJ-KZQRZKTQSA-N
Literature Reference DOI 10.1002/hlca.19910740119
Molecular Weight 180.291 g/mol
SMILES [C@@]1(C[C@@](OCCC1)(\C=C\C(=C)C)[H])(C)[H]
SPLASH splash10-015c-9400000000-0af8a213d7e01951114b
Source of Spectrum H-74-186-rac_4
Wiley ID 1789185