1-Heptanone, 1-[1-(phenylthio)cyclohexyl]-

SpectraBase Compound ID	G0mU8YLUAI8
InChI	InChI=1S/C19H28OS/c1-2-3-4-9-14-18(20)19(15-10-6-11-16-19)21-17-12-7-5-8-13-17/h5,7-8,12-13H,2-4,6,9-11,14-16H2,1H3
InChIKey	VLJLLVYIHVGBOX-UHFFFAOYSA-N Google Search
Mol Weight	304.49 g/mol
Molecular Formula	C19H28OS
Exact Mass	304.186087 g/mol

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SpectraBase Spectrum ID	IYCBB6O2RjQ
Name	1-Heptanone, 1-[1-(phenylthio)cyclohexyl]-
Alternate Name(s)	1-(1-Phenylthiocyclohexyl)-1-heptanone 1-[1-(phenylsulfanyl)cyclohexyl]-1-heptanone
CAS Registry Number	95110-56-8
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H28OS
InChI	InChI=1S/C19H28OS/c1-2-3-4-9-14-18(20)19(15-10-6-11-16-19)21-17-12-7-5-8-13-17/h5,7-8,12-13H,2-4,6,9-11,14-16H2,1H3
InChIKey	VLJLLVYIHVGBOX-UHFFFAOYSA-N
Molecular Weight	304.492 g/mol
SMILES	C1(Sc2ccccc2)(C(=O)CCCCCC)CCCCC1
SPLASH	splash10-0006-0900000000-bfabdcd8ee4d16058b0b
Source of Spectrum	AJ-58-2853-5
Wiley ID	1306674