2-NITRO-3-(PARA-TOLYLSULFONYLMETHYL)-BICYClO-[4.4.1]-UNDECA-1,3,5,7,9-PENTAENE

SpectraBase Compound ID	3cBuDmTIYBN
InChI	InChI=1S/C19H17NO4S/c1-14-6-10-18(11-7-14)25(23,24)13-17-9-8-15-4-2-3-5-16(12-15)19(17)20(21)22/h2-11H,12-13H2,1H3
InChIKey	GVBQTZQDYNVZME-UHFFFAOYSA-N Google Search
Mol Weight	355.41 g/mol
Molecular Formula	C19H17NO4S
Exact Mass	355.087829 g/mol

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SpectraBase Spectrum ID	1fUrKQ8yzg
Name	7-Nitro-8-(p-tolylsulfonylmethyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H17NO4S
InChI	InChI=1S/C19H17NO4S/c1-14-6-10-18(11-7-14)25(23,24)13-17-9-8-15-4-2-3-5-16(12-15)19(17)20(21)22/h2-11H,12-13H2,1H3
InChIKey	GVBQTZQDYNVZME-UHFFFAOYSA-N
Molecular Weight	355.408 g/mol
SMILES	C=1(C(N(=O)=O)=C2CC(=CC1)C=CC=C2)CS(c1ccc(cc1)C)(=O)=O
SPLASH	splash10-0uxs-2900000000-2de8c3982825e5af82a2
Source of Spectrum	AH-126-455-21
Synonyms	7-Nitro-8-(tosylmethyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 8-[(4-methylphenyl)sulfonylmethyl]-7-nitro-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Wiley ID	1345216