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1,4-Dimethoxy-6,8-bis-phenylsulfanyl-benzocyclohepten-7-one
SpectraBase Compound ID 2TGMmR2P11x
InChI InChI=1S/C25H20O3S2/c1-27-21-13-14-22(28-2)20-16-24(30-18-11-7-4-8-12-18)25(26)23(15-19(20)21)29-17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKey ZEAKRSGTOJEPRR-UHFFFAOYSA-N
Mol Weight 432.55 g/mol
Molecular Formula C25H20O3S2
Exact Mass 432.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kqIvjcv7c4
Name 1,4-Dimethoxy-6,8-bis-phenylsulfanyl-benzocyclohepten-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O3S2
InChI InChI=1S/C25H20O3S2/c1-27-21-13-14-22(28-2)20-16-24(30-18-11-7-4-8-12-18)25(26)23(15-19(20)21)29-17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKey ZEAKRSGTOJEPRR-UHFFFAOYSA-N
Molecular Weight 432.552 g/mol
SMILES C=1(C(C(=Cc2c(C1)c(ccc2OC)OC)Sc1ccccc1)=O)Sc1ccccc1
SPLASH splash10-001r-0002900000-4af79f9f9ec8576e3842
Source of Spectrum KC-0-1312-7
Synonyms 1,4-Dimethoxy-6,8-bis(phenylsulfanyl)-7H-benzo[a]cyclohepten-7-one 6,8-Bis(phenylthio)-1,4-dimethoxy-7H-benzocyclohepten-6-one
Wiley ID 821235