Debug Info

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1XW9LJ3De9C
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1XW9LJ3De9C
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exo-5-Acetyl-5-(benzenesulfonyl)bicyclo[2.2.2]oct-2-ene
SpectraBase Compound ID LRxGRSN74b9
InChI InChI=1S/C16H18O3S/c1-12(17)16(11-13-7-9-14(16)10-8-13)20(18,19)15-5-3-2-4-6-15/h2-7,9,13-14H,8,10-11H2,1H3
InChIKey ONGDLUYKGCRPCB-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C16H18O3S
Exact Mass 290.097666 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XW9LJ3De9C
Name exo-5-Acetyl-5-(benzenesulfonyl)bicyclo[2.2.2]oct-2-ene
CAS Registry Number 133834-22-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3S
InChI InChI=1S/C16H18O3S/c1-12(17)16(11-13-7-9-14(16)10-8-13)20(18,19)15-5-3-2-4-6-15/h2-7,9,13-14H,8,10-11H2,1H3
InChIKey ONGDLUYKGCRPCB-UHFFFAOYSA-N
Molecular Weight 290.377 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(C2C=CC(C1)CC2)C(=O)C
SPLASH splash10-006y-9300000000-a71646760e532dafeafb
Source of Spectrum J-56-4108-27
Synonyms 1-[2-(phenylsulfonyl)bicyclo[2.2.2]oct-5-en-2-yl]ethanone
Wiley ID 1293541
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