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 |