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3-NITRO-2-(PHENYLSULFONYLMETHYL)-BICYClO-[4.4.1]-UNDECA-1,3,5,7,9-PENTAENE
SpectraBase Compound ID CGtxKyfNqah
InChI InChI=1S/C18H15NO4S/c20-19(21)18-11-10-14-6-4-5-7-15(12-14)17(18)13-24(22,23)16-8-2-1-3-9-16/h1-11H,12-13H2
InChIKey FTZRYLIDESMMFB-UHFFFAOYSA-N
Mol Weight 341.38 g/mol
Molecular Formula C18H15NO4S
Exact Mass 341.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95ILk3QBPOM
Name 7-(benzenesulfonylmethyl)-8-nitro-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4S
InChI InChI=1S/C18H15NO4S/c20-19(21)18-11-10-14-6-4-5-7-15(12-14)17(18)13-24(22,23)16-8-2-1-3-9-16/h1-11H,12-13H2
InChIKey FTZRYLIDESMMFB-UHFFFAOYSA-N
Molecular Weight 341.381 g/mol
SMILES C=1(C(N(=O)=O)=CC=C2CC1C=CC=C2)CS(=O)(=O)c1ccccc1
SPLASH splash10-0f6x-0910000000-2da578f7341a17b6ffb8
Source of Spectrum AH-126-458-50
Synonyms 7-(besylmethyl)-8-nitro-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 8-Nitro-7-(phenylsulfonylmethyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Wiley ID 1335844