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7-Butyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene
SpectraBase Compound ID 5ixBzYgdkan
InChI InChI=1S/C19H22O2S/c1-3-4-13-19(14-16-7-5-6-8-18(16)19)22(20,21)17-11-9-15(2)10-12-17/h5-12H,3-4,13-14H2,1-2H3
InChIKey SJCDJYPLRMVOQZ-UHFFFAOYSA-N
Mol Weight 314.44 g/mol
Molecular Formula C19H22O2S
Exact Mass 314.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EspNb2hQeKN
Name 7-Butyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene
Alternate Name(s) 7-Butyl-7-tosyl-bicyclo[4.2.0]octa-1,3,5-triene 7-Butyl-7-(4-methylphenyl)sulfonylbicyclo[4.2.0]octa-1,3,5-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2S
InChI InChI=1S/C19H22O2S/c1-3-4-13-19(14-16-7-5-6-8-18(16)19)22(20,21)17-11-9-15(2)10-12-17/h5-12H,3-4,13-14H2,1-2H3
InChIKey SJCDJYPLRMVOQZ-UHFFFAOYSA-N
Molecular Weight 314.443 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)(c2ccccc2C1)CCCC
SPLASH splash10-014i-2900000000-18d7f4d9af1728a73a0d
Source of Spectrum J-63-2092-21
Wiley ID 1315229