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7'-Ethylthio n-heptyl phenylglyoxylate

View entire compound with spectra: 1 MS (GC)

7'-Ethylthio n-heptyl phenylglyoxylate
SpectraBase Compound ID 2KO7s0BhulG
InChI InChI=1S/C17H24O3S/c1-2-21-14-10-5-3-4-9-13-20-17(19)16(18)15-11-7-6-8-12-15/h6-8,11-12H,2-5,9-10,13-14H2,1H3
InChIKey SJSRDFKVJGYIAJ-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiWW3msmS8
Name 7'-Ethylthio n-heptyl phenylglyoxylate
Alternate Name(s) 7-(ethylsulfanyl)heptyl oxo(phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-2-21-14-10-5-3-4-9-13-20-17(19)16(18)15-11-7-6-8-12-15/h6-8,11-12H,2-5,9-10,13-14H2,1H3
InChIKey SJSRDFKVJGYIAJ-UHFFFAOYSA-N
Molecular Weight 308.436 g/mol
SMILES C(C(=O)OCCCCCCCSCC)(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-a7260c2420774627f368
Source of Spectrum F-53-7175-2
Wiley ID 802253