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2-Tosyloxy-8-methyl-13-oxatricyclo[7.3.2.0(3,8)]tetradecan-14-one
SpectraBase Compound ID IZrDSmz9yoE
InChI InChI=1S/C21H28O5S/c1-14-9-11-15(12-10-14)27(23,24)26-19-16-6-3-4-13-21(16,2)17-7-5-8-18(19)25-20(17)22/h9-12,16-19H,3-8,13H2,1-2H3/t16?,17-,18-,19?,21?/m0/s1
InChIKey CMURAJDEHIEUCY-XKJBMUCPSA-N
Mol Weight 392.51 g/mol
Molecular Formula C21H28O5S
Exact Mass 392.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID isAqhGlTE
Name 2-Tosyloxy-8-methyl-13-oxatricyclo[7.3.2.0(3,8)]tetradecan-14-one
Alternate Name(s) 2-Methyl-13-oxo-14-oxatricyclo[7.3.2.0(2,7)]tetradec-8-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5S
InChI InChI=1S/C21H28O5S/c1-14-9-11-15(12-10-14)27(23,24)26-19-16-6-3-4-13-21(16,2)17-7-5-8-18(19)25-20(17)22/h9-12,16-19H,3-8,13H2,1-2H3/t16?,17-,18-,19?,21?/m0/s1
InChIKey CMURAJDEHIEUCY-XKJBMUCPSA-N
Molecular Weight 392.510 g/mol
SMILES [C@]12(C(C3CCCCC3([C@@](CCC1)(C(O2)=O)[H])C)OS(=O)(=O)c1ccc(C)cc1)[H]
SPLASH splash10-0006-9100000000-0ec103ae938fe2577bf4
Source of Spectrum D8-323-129-13
Wiley ID 1513565