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2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3-(4-hydroxy-5,5-dimethyl-2-oxo-3-hexenyl)-5-me thoxy-, (Z)-
SpectraBase Compound ID 2NnUWhgiGcJ
InChI InChI=1S/C21H28O5/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/h9-11,15,23H,8H2,1-7H3/b17-9-
InChIKey LYJSZCMFNWRUEI-MFOYZWKCSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMRYjaV8N88
Name 2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3-(4-hydroxy-5,5-dimethyl-2-oxo-3-hexenyl)-5-me thoxy-, (Z)-
Alternate Name(s) (Z)-3-(4-hydroxy-5,5-dimethyl-2-orohex-3-enyl)-5-methoxy-7-t-butylbenzofuran-2(3H)-one 7-tert-Butyl-3-[(3Z)-4-hydroxy-5,5-dimethyl-2-oxo-3-hexenyl]-5-methoxy-1-benzofuran-2(3H)-one
CAS Registry Number 71200-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/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/h9-11,15,23H,8H2,1-7H3/b17-9-
InChIKey LYJSZCMFNWRUEI-MFOYZWKCSA-N
Molecular Weight 360.450 g/mol
SMILES O\C(=C/C(CC1c2c(OC1=O)c(C(C)(C)C)cc(OC)c2)=O)C(C)(C)C
SPLASH splash10-0a4i-9162000000-28c6ec581ba6247afcf7
Source of Spectrum KC-1979-295-0
Wiley ID 1348439