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exo-4-(p-Methoxyphenyl)-6-phenyl-3-thiatricyclo[6.2.1.0]undeca-4,9-diene
SpectraBase Compound ID CRwGefoYCiL
InChI InChI=1S/C23H22OS/c1-24-20-9-7-18(8-10-20)21-13-19(17-5-3-2-4-6-17)14-22-11-12-23(22,15-22)16-25-21/h2-13,19H,14-16H2,1H3/b21-13-
InChIKey AELIGIMQAYOULC-BKUYFWCQSA-N
Mol Weight 346.49 g/mol
Molecular Formula C23H22OS
Exact Mass 346.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XegCxeHGt
Name exo-4-(p-Methoxyphenyl)-6-phenyl-3-thiatricyclo[6.2.1.0]undeca-4,9-diene
CAS Registry Number 71436-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22OS
InChI InChI=1S/C23H22OS/c1-24-20-9-7-18(8-10-20)21-13-19(17-5-3-2-4-6-17)14-22-11-12-23(22,15-22)16-25-21/h2-13,19H,14-16H2,1H3/b21-13-
InChIKey AELIGIMQAYOULC-BKUYFWCQSA-N
Molecular Weight 346.488 g/mol
SMILES C123C(CS\C(=C/C(C3)c3ccccc3)c3ccc(cc3)OC)(C1)C=C2
SPLASH splash10-001i-0090000000-b8c0535e0ad39f8a2e0a
Source of Spectrum J-44-4154-0
Synonyms 4-(4-Methoxyphenyl)-6-phenyl-3-thiatricyclo[6.2.1.0(1,8)]undeca-4,9-diene Methyl 4-(6-phenyl-3-thiatricyclo[6.2.1.0(1,8)]undeca-4,9-dien-4-yl)phenyl ether
Wiley ID 1339690