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3-(methylthio)-1-(1-naphthalenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylic acid methyl ester
SpectraBase Compound ID B4aXXMqJR48
InChI InChI=1S/C24H24O2S/c1-26-24(25)23-20-13-5-3-4-12-19(20)21(15-22(23)27-2)18-14-8-10-16-9-6-7-11-17(16)18/h6-11,14-15H,3-5,12-13H2,1-2H3
InChIKey BXBFFMINGXGBBZ-UHFFFAOYSA-N
Mol Weight 376.51 g/mol
Molecular Formula C24H24O2S
Exact Mass 376.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxJEtP2GNJ7
Name 3-(methylthio)-1-(1-naphthalenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylic acid methyl ester
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Formula C24H24O2S
InChI InChI=1S/C24H24O2S/c1-26-24(25)23-20-13-5-3-4-12-19(20)21(15-22(23)27-2)18-14-8-10-16-9-6-7-11-17(16)18/h6-11,14-15H,3-5,12-13H2,1-2H3
InChIKey BXBFFMINGXGBBZ-UHFFFAOYSA-N
Molecular Weight 376.514 g/mol
SMILES c1(c2c(CCCCC2)c(cc1SC)-c1c2c(cccc2)ccc1)C(=O)OC
SPLASH splash10-004l-0009000000-b6b0cae1ec440ab496d8
Source of Spectrum J-64-2389-3
Synonyms 3-(methylthio)-1-(1-naphthyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene-4-carboxylic acid methyl ester Methyl 3-methylsulfanyl-1-(1-naphthyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate Methyl 3-methylsulfanyl-1-naphthalen-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
Wiley ID 1529775