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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
Mol Weight 355.41 g/mol
Molecular Formula C19H17NO4S
Exact Mass 355.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
Alternate Name(s) 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
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
Wiley ID 1345216