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4'-Phenylthio-rot-2'-enonic acid
SpectraBase Compound ID DMzoeLowGFP
InChI InChI=1S/C29H28O6S/c1-17(16-36-18-7-5-4-6-8-18)9-10-19-22(30)12-11-20-28(31)27-21-13-24(32-2)25(33-3)14-23(21)34-15-26(27)35-29(19)20/h4-9,11-14,26-27,30H,10,15-16H2,1-3H3/b17-9-
InChIKey QUXYWIMIYBPXTB-MFOYZWKCSA-N
Mol Weight 504.6 g/mol
Molecular Formula C29H28O6S
Exact Mass 504.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pMHhU7SxJ9
Name 4'-Phenylthio-rot-2'-enonic acid
CAS Registry Number 70145-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O6S
InChI InChI=1S/C29H28O6S/c1-17(16-36-18-7-5-4-6-8-18)9-10-19-22(30)12-11-20-28(31)27-21-13-24(32-2)25(33-3)14-23(21)34-15-26(27)35-29(19)20/h4-9,11-14,26-27,30H,10,15-16H2,1-3H3/b17-9-
InChIKey QUXYWIMIYBPXTB-MFOYZWKCSA-N
Molecular Weight 504.597 g/mol
SMILES Oc1c(c2c(C(=O)C3C(O2)COc2cc(OC)c(cc32)OC)cc1)C\C=C/(CSc1ccccc1)C
SPLASH splash10-0006-0910000000-c214195c35baa22da4fa
Source of Spectrum J-44-2580-0
Synonyms 9-Hydroxy-2,3-dimethoxy-8-[(2Z)-3-methyl-4-(phenylsulfanyl)-2-butenyl]-6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one
Wiley ID 1399586