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1-[(p-toylsulfonyl)oxy]tricyclo[5.3.1.0(2,6)]-8-undecanone
SpectraBase Compound ID GhkHZ6zFyIT
InChI InChI=1S/C18H22O4S/c1-12-5-7-13(8-6-12)23(20,21)22-18-10-9-17(19)15(11-18)14-3-2-4-16(14)18/h5-8,14-16H,2-4,9-11H2,1H3/t14-,15+,16+,18+/m0/s1
InChIKey MCAOGZZKZMHESV-BVIKNXMNSA-N
Mol Weight 334.43 g/mol
Molecular Formula C18H22O4S
Exact Mass 334.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1i5CztmYjFb
Name 1-[(p-toylsulfonyl)oxy]tricyclo[5.3.1.0(2,6)]-8-undecanone
Alternate Name(s) 8-Oxotricyclo[5.3.1.0(2,6)]undec-1-yl 4-methylbenzenesulfonate
CAS Registry Number 119245-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4S
InChI InChI=1S/C18H22O4S/c1-12-5-7-13(8-6-12)23(20,21)22-18-10-9-17(19)15(11-18)14-3-2-4-16(14)18/h5-8,14-16H,2-4,9-11H2,1H3/t14-,15+,16+,18+/m0/s1
InChIKey MCAOGZZKZMHESV-BVIKNXMNSA-N
Molecular Weight 334.430 g/mol
SMILES [C@]12(OS(c3ccc(cc3)C)(=O)=O)C[C@]([C@]3([C@]1(CCC3)[H])[H])(C(CC2)=O)[H]
SPLASH splash10-06vi-0920000000-309f35006ff6c6ccf8a5
Source of Spectrum J-54-1809-29
Wiley ID 1330864