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trans-Methyl 2,2,3-trimethyl-6-octenoate
SpectraBase Compound ID HFnixB3XIu2
InChI InChI=1S/C12H22O2/c1-6-7-8-9-10(2)12(3,4)11(13)14-5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKey MFJJTPAGWDZKNB-VOTSOKGWSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA56aOJ3WcW
Name trans-Methyl 2,2,3-trimethyl-6-octenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-6-7-8-9-10(2)12(3,4)11(13)14-5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKey MFJJTPAGWDZKNB-VOTSOKGWSA-N
Literature Reference DOI 10.1021/ol1012108
Molecular Weight 198.306 g/mol
SMILES C(C(OC)=O)(C(CC\C=C\C)C)(C)C
SPLASH splash10-0udi-3900000000-eb5b797838f6381283a1
Source of Spectrum A1-12-3390/SMS15-4ma
Synonyms (E)-methyl 2,2,3-trimethyloct-6-enoate (E)-2,2,3-trimethyl-6-octenoic acid methyl ester Methyl (E)-2,2,3-trimethyloct-6-enoate
Wiley ID 1752409