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6-[[(p-tolylsulfonyl)oxy]methyl]tricyclo[5.3.0.0(2,6)]-3-de-canone
SpectraBase Compound ID 6Chpwj8Rj3h
InChI InChI=1S/C18H22O4S/c1-12-5-7-13(8-6-12)23(20,21)22-11-18-10-9-16(19)17(18)14-3-2-4-15(14)18/h5-8,14-15,17H,2-4,9-11H2,1H3
InChIKey WRVNNSYGSKTUDD-UHFFFAOYSA-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 B1ZqIeVusOz
Name 6-[[(p-tolylsulfonyl)oxy]methyl]tricyclo[5.3.0.0(2,6)]-3-de-canone
Alternate Name(s) (6-oxooctahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopenten-3b(1H)-yl)methyl 4-methylbenzenesulfonate
CAS Registry Number 119324-02-6
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)22-11-18-10-9-16(19)17(18)14-3-2-4-15(14)18/h5-8,14-15,17H,2-4,9-11H2,1H3
InChIKey WRVNNSYGSKTUDD-UHFFFAOYSA-N
Molecular Weight 334.430 g/mol
SMILES C12(C(C(=O)CC2)C2C1CCC2)COS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-03di-0910000000-1d4b36e534106f872a1d
Source of Spectrum J-54-1809-25
Wiley ID 1330863