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3-Oxo-2,2-dimethyl-5-(4-methylthiophenoxy)-8-octyl formate
SpectraBase Compound ID HH8aukjWHBU
InChI InChI=1S/C18H26O3S/c1-14-7-9-15(10-8-14)22-16(6-5-11-21-13-19)12-17(20)18(2,3)4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKey RILLKJFCLOVGRE-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4A6ad6TIeXg
Name 3-Oxo-2,2-dimethyl-5-(4-methylthiophenoxy)-8-octyl formate
Alternate Name(s) 7,7-Dimethyl-4-[(4-methylphenyl)sulfanyl]-6-oxooctyl formate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-14-7-9-15(10-8-14)22-16(6-5-11-21-13-19)12-17(20)18(2,3)4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKey RILLKJFCLOVGRE-UHFFFAOYSA-N
Molecular Weight 322.463 g/mol
SMILES C(CC(Sc1ccc(cc1)C)CCCOC=O)(C(C)(C)C)=O
SPLASH splash10-0a4i-9101000000-07633adc4c3299f9384b
Source of Spectrum F-53-6606-136
Wiley ID 802095