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2,6-bis(Phenylsulfonyl)tricyclo[3.3.1.0(2,8)]nona-3,6-diene

View entire compound with spectra: 1 MS (GC)

2,6-bis(Phenylsulfonyl)tricyclo[3.3.1.0(2,8)]nona-3,6-diene
SpectraBase Compound ID 8Z3b3g4kQr
InChI InChI=1S/C21H18O4S2/c22-26(23,16-7-3-1-4-8-16)20-14-19-18-13-15(20)11-12-21(18,19)27(24,25)17-9-5-2-6-10-17/h1-12,14-15,18-19H,13H2/t15-,18?,19?,21-/m1/s1
InChIKey KWSBCNHWFZRUHU-DWPFLWSCSA-N
Mol Weight 398.49 g/mol
Molecular Formula C21H18O4S2
Exact Mass 398.064651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEt0XW7pTNh
Name 2,6-bis(Phenylsulfonyl)tricyclo[3.3.1.0(2,8)]nona-3,6-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4S2
InChI InChI=1S/C21H18O4S2/c22-26(23,16-7-3-1-4-8-16)20-14-19-18-13-15(20)11-12-21(18,19)27(24,25)17-9-5-2-6-10-17/h1-12,14-15,18-19H,13H2/t15-,18?,19?,21-/m1/s1
InChIKey KWSBCNHWFZRUHU-DWPFLWSCSA-N
Molecular Weight 398.491 g/mol
SMILES C12[C@@]3(C=C[C@@](C(=CC23)S(=O)(=O)c2ccccc2)(C1)[H])S(=O)(=O)c1ccccc1
SPLASH splash10-004l-4901000000-fca8b9fc50493f24ca57
Source of Spectrum U-1996-994-1
Wiley ID 768544