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Benzeneacetonitrile, 4-[1,5-dihydroxy-1-methyl-3-oxo-5-(2,4,6-trimethoxyphenyl)-4-pentenyl]-3,5-dimethoxy-.alpha.,.alpha.-dimethyl-
SpectraBase Compound ID 9T1lvSdc4z7
InChI InChI=1S/C27H33NO8/c1-26(2,15-28)16-9-22(35-7)25(23(10-16)36-8)27(3,31)14-17(29)11-19(30)24-20(33-5)12-18(32-4)13-21(24)34-6/h9-13,30-31H,14H2,1-8H3/b19-11-
InChIKey GJMPKHKONYZJQF-ODLFYWEKSA-N
Mol Weight 499.6 g/mol
Molecular Formula C27H33NO8
Exact Mass 499.220617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWfoM7EHRiQ
Name Benzeneacetonitrile, 4-[1,5-dihydroxy-1-methyl-3-oxo-5-(2,4,6-trimethoxyphenyl)-4-pentenyl]-3,5-dimethoxy-.alpha.,.alpha.-dimethyl-
CAS Registry Number 65048-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33NO8
InChI InChI=1S/C27H33NO8/c1-26(2,15-28)16-9-22(35-7)25(23(10-16)36-8)27(3,31)14-17(29)11-19(30)24-20(33-5)12-18(32-4)13-21(24)34-6/h9-13,30-31H,14H2,1-8H3/b19-11-
InChIKey GJMPKHKONYZJQF-ODLFYWEKSA-N
Molecular Weight 499.560 g/mol
SMILES OC(CC(\C=C/(c1c(cc(cc1OC)OC)OC)O)=O)(c1c(cc(cc1OC)C(C#N)(C)C)OC)C
SPLASH splash10-0002-0890000000-15e68ff886bd913c54aa
Source of Spectrum I-55-790-0
Synonyms 2-(3,5-Dimethoxy-4-(4,6-dioxo-2-hydroxy-6-2',4',6'-trimethoxyphenylhex-2-yl)-phenyl)-2-methylpropionitrile 2-{4-[(4Z)-1,5-dihydroxy-1-methyl-3-oxo-5-(2,4,6-trimethoxyphenyl)-4-pentenyl]-3,5-dimethoxyphenyl}-2-methylpropanenitrile
Wiley ID 1398723