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Methylgerambullal
SpectraBase Compound ID IrHROFVlVXk
InChI InChI=1S/C23H31NO5S/c1-19(6-5-7-20(2)18-25)13-16-29-22-10-8-21(9-11-22)12-15-24(3)23(26)14-17-30(4,27)28/h7-11,13-14,17-18H,5-6,12,15-16H2,1-4H3/b17-14+,19-13+,20-7+
InChIKey WKFSKDNTWBRHQR-AGDBXHSCSA-N
Mol Weight 433.56 g/mol
Molecular Formula C23H31NO5S
Exact Mass 433.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvipIuwo001
Name Methylgerambullal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO5S
InChI InChI=1S/C23H31NO5S/c1-19(6-5-7-20(2)18-25)13-16-29-22-10-8-21(9-11-22)12-15-24(3)23(26)14-17-30(4,27)28/h7-11,13-14,17-18H,5-6,12,15-16H2,1-4H3/b17-14+,19-13+,20-7+
InChIKey WKFSKDNTWBRHQR-AGDBXHSCSA-N
Molecular Weight 433.563 g/mol
SMILES C(\C=C\S(=O)(=O)C)(N(CCc1ccc(cc1)OC\C=C\(CC\C=C\(C=O)C)C)C)=O
SPLASH splash10-0uki-2900000000-aaf55d4712ecd05fe027
Source of Spectrum U-1995-1793-5
Synonyms (2E)-N-[2-(4-{[(2E,6E)-3,7-dimethyl-8-oxo-2,6-octadienyl]oxy}phenyl)ethyl]-N-methyl-3-(methylsulfonyl)-2-propenamide
Wiley ID 767596