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Ethanone, 1-[4-[2-[[(4-methylphenyl)sulfonyl]oxy]propyl]-3-cyclohexen-1-yl]-
SpectraBase Compound ID 2H6QBnub5op
InChI InChI=1S/C18H24O4S/c1-13-4-10-18(11-5-13)23(20,21)22-14(2)12-16-6-8-17(9-7-16)15(3)19/h4-6,10-11,14,17H,7-9,12H2,1-3H3
InChIKey XXHWPPXBNLZBKK-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C18H24O4S
Exact Mass 336.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIRDbzL4J8d
Name Ethanone, 1-[4-[2-[[(4-methylphenyl)sulfonyl]oxy]propyl]-3-cyclohexen-1-yl]-
Alternate Name(s) 2-(4-acetyl-1-cyclohexen-1-yl)-1-methylethyl 4-methylbenzenesulfonate 4-(2-(p-toulenesulfonyl)propyl)-tetrahydroacetophenone
CAS Registry Number 108200-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-13-4-10-18(11-5-13)23(20,21)22-14(2)12-16-6-8-17(9-7-16)15(3)19/h4-6,10-11,14,17H,7-9,12H2,1-3H3
InChIKey XXHWPPXBNLZBKK-UHFFFAOYSA-N
Molecular Weight 336.446 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(CC1=CCC(C(=O)C)CC1)C
SPLASH splash10-006x-9700000000-66fa758f3929fc4524ea
Source of Spectrum AJ-59-1874-23
Wiley ID 1332300