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4H-Benz[e]inden-4-one, 1,2,3,3a,5,9b-hexahydro-5-(phenylsulfonyl)-, (3a.alpha.,9b.alpha.)-
SpectraBase Compound ID 6uGxe4C0GWX
InChI InChI=1S/C19H18O3S/c20-18-16-12-6-11-14(16)15-9-4-5-10-17(15)19(18)23(21,22)13-7-2-1-3-8-13/h1-5,7-10,14,16,19H,6,11-12H2
InChIKey DDBBIYOTWFWINX-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C19H18O3S
Exact Mass 326.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZTu2dxCcqj
Name 4H-Benz[e]inden-4-one, 1,2,3,3a,5,9b-hexahydro-5-(phenylsulfonyl)-, (3a.alpha.,9b.alpha.)-
CAS Registry Number 113812-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3S
InChI InChI=1S/C19H18O3S/c20-18-16-12-6-11-14(16)15-9-4-5-10-17(15)19(18)23(21,22)13-7-2-1-3-8-13/h1-5,7-10,14,16,19H,6,11-12H2
InChIKey DDBBIYOTWFWINX-UHFFFAOYSA-N
Molecular Weight 326.410 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)C(C2CCCC2c2c1cccc2)=O
SPLASH splash10-000i-0901000000-18732eb6b097c9bfeb0e
Source of Spectrum J-53-1918-27
Synonyms 2,3,3a,4,5,9b-hexahydro-4-oxo-5-(phenylsulfonyl)benz[e]indene 5-(Phenylsulfonyl)-1,2,3,3a,5,9b-hexahydro-4H-cyclopenta[a]naphthalen-4-one
Wiley ID 1324825