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Methyl 5-[(E)-Hex-1-enyl]-2-methylcylohexanylacetate isomer
SpectraBase Compound ID 44HKpcAnU0i
InChI InChI=1S/C16H28O2/c1-4-5-6-7-8-14-10-9-13(2)15(11-14)12-16(17)18-3/h7-8,13-15H,4-6,9-12H2,1-3H3/b8-7+/t13-,14?,15+/m0/s1
InChIKey GLMKAFMIWVZGSG-FUVZHIGPSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8JXw41GBsa
Name Methyl 5-[(E)-Hex-1-enyl]-2-methylcylohexanylacetate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-4-5-6-7-8-14-10-9-13(2)15(11-14)12-16(17)18-3/h7-8,13-15H,4-6,9-12H2,1-3H3/b8-7+/t13-,14?,15+/m0/s1
InChIKey GLMKAFMIWVZGSG-FUVZHIGPSA-N
Molecular Weight 252.398 g/mol
SMILES [C@@]1(CC(=O)OC)(CC(\C=C\CCCC)CC[C@@]1(C)[H])[H]
SPLASH splash10-059l-5910000000-b365a813ac278cd3d751
Source of Spectrum U1-2009-1730-13c
Wiley ID 1662731