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7-Benzyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene
SpectraBase Compound ID 2zLRCCqh7Nc
InChI InChI=1S/C22H20O2S/c1-17-11-13-20(14-12-17)25(23,24)22(15-18-7-3-2-4-8-18)16-19-9-5-6-10-21(19)22/h2-14H,15-16H2,1H3
InChIKey HZULCQWMNVETBX-UHFFFAOYSA-N
Mol Weight 348.46 g/mol
Molecular Formula C22H20O2S
Exact Mass 348.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVHSS55algY
Name 7-Benzyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O2S
InChI InChI=1S/C22H20O2S/c1-17-11-13-20(14-12-17)25(23,24)22(15-18-7-3-2-4-8-18)16-19-9-5-6-10-21(19)22/h2-14H,15-16H2,1H3
InChIKey HZULCQWMNVETBX-UHFFFAOYSA-N
Molecular Weight 348.460 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)(c2ccccc2C1)Cc1ccccc1
SPLASH splash10-00kf-2900000000-ddb70928a3d850c28083
Source of Spectrum J-63-2092-21
Synonyms 7-(4-Methylphenyl)sulfonyl-7-(phenylmethyl)bicyclo[4.2.0]octa-1,3,5-triene 7-Benzyl-7-tosyl-bicyclo[4.2.0]octa-1,3,5-triene
Wiley ID 1340894