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2,5-Hexadienoic acid, 5-(3-methyl-2-benzofuranyl)-, methyl ester
SpectraBase Compound ID 2ccXgeAYEaR
InChI InChI=1S/C16H16O3/c1-11(7-6-10-15(17)18-3)16-12(2)13-8-4-5-9-14(13)19-16/h4-6,8-10H,1,7H2,2-3H3/b10-6+
InChIKey HIRGBBVJXPJUHH-UXBLZVDNSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K37gx1LIsCN
Name 2,5-Hexadienoic acid, 5-(3-methyl-2-benzofuranyl)-, methyl ester
CAS Registry Number 55937-83-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-11(7-6-10-15(17)18-3)16-12(2)13-8-4-5-9-14(13)19-16/h4-6,8-10H,1,7H2,2-3H3/b10-6+
InChIKey HIRGBBVJXPJUHH-UXBLZVDNSA-N
Molecular Weight 256.301 g/mol
SMILES COC(=O)\C=C\CC(=C)c1c(C)c2ccccc2o1
SPLASH splash10-0a4i-3920000000-8963faa747526a4a5a2b
Source of Spectrum B-26-1106-13
Synonyms Methyl (2E)-5-(3-methyl-1-benzofuran-2-yl)-2,5-hexadienoate (2E)-5-(3-methyl-2-benzofuranyl)hexa-2,5-dienoic acid methyl ester (2E)-5-(3-methylbenzofuran-2-yl)hexa-2,5-dienoic acid methyl ester Methyl (2E)-5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate Methyl (2E)-5-(3-methylbenzofuran-2-yl)hexa-2,5-dienoate
Wiley ID 1260040