(1R,5S)-6,6-Dimethyl-2-[3-phenylseleno-2-(p-toluenesulfonyl)prop-2-en-1-yl]bicyclo[3.1.1]hept-2-ene

SpectraBase Compound ID	C2jEpkzkKtY
InChI	InChI=1S/C25H28O2SSe/c1-18-9-13-21(14-10-18)28(26,27)22(17-29-23-7-5-4-6-8-23)15-19-11-12-20-16-24(19)25(20,2)3/h4-11,13-14,17,20,24H,12,15-16H2,1-3H3/b22-17+/t20-,24-/m0/s1
InChIKey	XTXIRWAPZAYDFD-MHFHYCPLSA-N Google Search
Mol Weight	471.53 g/mol
Molecular Formula	C25H28O2SSe
Exact Mass	472.097523 g/mol

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SpectraBase Spectrum ID	Ee8u42MS4oe
Name	(1R,5S)-6,6-Dimethyl-2-[3-phenylseleno-2-(p-toluenesulfonyl)prop-2-en-1-yl]bicyclo[3.1.1]hept-2-ene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H28O2SSe
InChI	InChI=1S/C25H28O2SSe/c1-18-9-13-21(14-10-18)28(26,27)22(17-29-23-7-5-4-6-8-23)15-19-11-12-20-16-24(19)25(20,2)3/h4-11,13-14,17,20,24H,12,15-16H2,1-3H3/b22-17+/t20-,24-/m0/s1
InChIKey	XTXIRWAPZAYDFD-MHFHYCPLSA-N
Molecular Weight	471.529 g/mol
SMILES	C(\C(S(c1ccc(cc1)C)(=O)=O)=C/[Se]c1ccccc1)C=1[C@]2(C(C)(C)[C@@](CC1)(C2)[H])[H]
SPLASH	splash10-0006-9000000000-671bf03836118478303a
Source of Spectrum	J-64-7431-23
Synonyms	(1R,5S)-6,6-dimethyl-2-[(2E)-2-[(4-methylphenyl)sulfonyl]-3-(phenylselanyl)-2-propenyl]bicyclo[3.1.1]hept-2-ene (E)-1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-2-(phenylselanyl)ethenyl 4-methylphenyl sulfone 6,6-Dimethyl-2-[3-phenylseleno-2-(p-toluenesulfonyl)prop-2-en-1-yl]bicyclo[3.1.1]hept-2-ene
Wiley ID	1531208