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2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3-(4-hydroxy-5,5-dimethyl-2-oxo-3-hexenylidene) -5-methoxy-, (Z,E)-
SpectraBase Compound ID 2ywGebu6V3M
InChI InChI=1S/C21H26O5/c1-20(2,3)16-11-13(25-7)10-14-15(19(24)26-18(14)16)8-12(22)9-17(23)21(4,5)6/h8-11,23H,1-7H3/b15-8+,17-9-
InChIKey CPSFGZQBJOIZBC-VNPQYVHQSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ULRtwhT1DI
Name 2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3-(4-hydroxy-5,5-dimethyl-2-oxo-3-hexenylidene) -5-methoxy-, (Z,E)-
CAS Registry Number 71200-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-20(2,3)16-11-13(25-7)10-14-15(19(24)26-18(14)16)8-12(22)9-17(23)21(4,5)6/h8-11,23H,1-7H3/b15-8+,17-9-
InChIKey CPSFGZQBJOIZBC-VNPQYVHQSA-N
Molecular Weight 358.434 g/mol
SMILES O\C(=C/C(\C=C/1c2c(OC1=O)c(C(C)(C)C)cc(OC)c2)=O)C(C)(C)C
SPLASH splash10-0a4i-8095000000-e6541a22eeb24f5a8db7
Source of Spectrum KC-1979-295-0
Synonyms (3E)-7-tert-butyl-3-[(3Z)-4-hydroxy-5,5-dimethyl-2-oxo-3-hexenylidene]-5-methoxy-1-benzofuran-2(3H)-one (E)-3-((Z)-4-hydroxy-5,5-dimethyl-2-oxohex-3-enylidene)-5-methoxy-7-t-butylbenzofuran-2(3H)-one
Wiley ID 1347162