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(3-phenylcyclohept-3-en-1-yl) 4-methylbenzenesulfonate
SpectraBase Compound ID EZ7ZeeSl4gn
InChI InChI=1S/C20H22O3S/c1-16-11-13-20(14-12-16)24(21,22)23-19-10-6-5-9-18(15-19)17-7-3-2-4-8-17/h2-4,7-9,11-14,19H,5-6,10,15H2,1H3
InChIKey BLWHDLXTAQAULD-UHFFFAOYSA-N
Mol Weight 342.45 g/mol
Molecular Formula C20H22O3S
Exact Mass 342.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F03Y8PKfnoV
Name (3-phenylcyclohept-3-en-1-yl) 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid (3-phenyl-1-cyclohept-3-enyl) ester 4-Methylbenzenesulfonic acid (3-phenylcyclohept-3-en-1-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3S
InChI InChI=1S/C20H22O3S/c1-16-11-13-20(14-12-16)24(21,22)23-19-10-6-5-9-18(15-19)17-7-3-2-4-8-17/h2-4,7-9,11-14,19H,5-6,10,15H2,1H3
InChIKey BLWHDLXTAQAULD-UHFFFAOYSA-N
Molecular Weight 342.453 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)CC(c2ccccc2)=CCCC1
SPLASH splash10-006x-2900000000-84ea861d3d25d86deb8c
Source of Spectrum K-127-376-25
Wiley ID 1336627