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5-Thioethyl-5-dibenzosuberanecarboxylic acid
SpectraBase Compound ID 1pzrWzeD7fl
InChI InChI=1S/C18H16O2S/c1-2-21-18(17(19)20)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)18/h3-12H,2H2,1H3,(H,19,20)
InChIKey DMQBPNDVGJDDMF-UHFFFAOYSA-N
Mol Weight 296.38 g/mol
Molecular Formula C18H16O2S
Exact Mass 296.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hZ6KkkOFI0
Name 5-Thioethyl-5-dibenzosuberanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O2S
InChI InChI=1S/C18H16O2S/c1-2-21-18(17(19)20)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)18/h3-12H,2H2,1H3,(H,19,20)
InChIKey DMQBPNDVGJDDMF-UHFFFAOYSA-N
Molecular Weight 296.384 g/mol
SMILES OC(C1(c2c(C=Cc3c1cccc3)cccc2)SCC)=O
SPLASH splash10-000f-1920000000-cdae36cf7ebafcecff22
Source of Spectrum F-54-2255-1
Synonyms 5-(ethylsulfanyl)-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid 5-Thioethyl-5-dibenzosuber-10-enecarboxylic acid 11-(ethylthio)-11-dibenzo[1,2-a:1',2'-e][7]annulenecarboxylic acid 11-ethylsulfanyldibenzo[1,2-a:1',2'-e][7]annulene-11-carboxylic acid
Wiley ID 806145