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exo-4-(p-Methoxyphenyl)-6-phenyl-3-thiatricyclo[6.2.1.0]undec-4-ene
SpectraBase Compound ID IJm1FzFRXXm
InChI InChI=1S/C23H24OS/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/h2-10,13,19H,11-12,14-16H2,1H3/b21-13-/t19?,22-,23-/m0/s1
InChIKey RQUDEPORCPVJJH-BKUYFWCQSA-N
Mol Weight 348.5 g/mol
Molecular Formula C23H24OS
Exact Mass 348.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3tpP2H7IlE
Name exo-4-(p-Methoxyphenyl)-6-phenyl-3-thiatricyclo[6.2.1.0]undec-4-ene
CAS Registry Number 71436-36-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24OS
InChI InChI=1S/C23H24OS/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/h2-10,13,19H,11-12,14-16H2,1H3/b21-13-/t19?,22-,23-/m0/s1
InChIKey RQUDEPORCPVJJH-BKUYFWCQSA-N
Molecular Weight 348.504 g/mol
SMILES [C@]123[C@](CS\C(=C/C(C3)c3ccccc3)c3ccc(cc3)OC)(C1)CC2
SPLASH splash10-0udi-0092000000-1d28d85195b7189cf7c3
Source of Spectrum J-44-4155-0
Synonyms 4-(4-methoxyphenyl)-6-phenyl-3-thiatricyclo[6.2.1.0(1,8)]undec-4-ene methyl 4-(6-phenyl-3-thiatricyclo[6.2.1.0(1,8)]undec-4-en-4-yl)phenyl ether
Wiley ID 1341053