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Benzenehexanoic acid, .alpha.-(methoxymethylene)-.beta.-methyl-, methyl ester, (E)-
SpectraBase Compound ID 4BAfKwvo2Xz
InChI InChI=1S/C16H22O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3/b15-12+
InChIKey WVEHUPHAXDYXKY-NTCAYCPXSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7mc8678D28
Name Benzenehexanoic acid, .alpha.-(methoxymethylene)-.beta.-methyl-, methyl ester, (E)-
CAS Registry Number 67781-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3/b15-12+
InChIKey WVEHUPHAXDYXKY-NTCAYCPXSA-N
Molecular Weight 262.349 g/mol
SMILES C(\C(=C\OC)C(CCCc1ccccc1)C)(=O)OC
SPLASH splash10-002f-7920000000-d2e0440c58a6e011c660
Source of Spectrum K-111-2784-0
Synonyms Methyl (2E)-3-methoxy-2-(1-methyl-4-phenylbutyl)-2-propenoate Tetrahydrostrobilurin A
Wiley ID 1266101