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1-Heptanone, 1-cyclohexyl-2-(phenylthio)-, (.+-.)-
SpectraBase Compound ID KU8nlm5h1li
InChI InChI=1S/C19H28OS/c1-2-3-6-15-18(21-17-13-9-5-10-14-17)19(20)16-11-7-4-8-12-16/h5,9-10,13-14,16,18H,2-4,6-8,11-12,15H2,1H3
InChIKey XZJIYTTWZXGJIS-UHFFFAOYSA-N
Mol Weight 304.49 g/mol
Molecular Formula C19H28OS
Exact Mass 304.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsWTTUcxWEo
Name 1-Heptanone, 1-cyclohexyl-2-(phenylthio)-, (.+-.)-
Alternate Name(s) 1-Heptanone, 1-cyclohexyl-2-(phenylthio)- 1-cyclohexyl-2-(phenylsulfanyl)-1-heptanone 1-Cyclohexyl-2-phenylsulphonylheptan-1-one 1-Cyclohexyl-2-phenylthio-1-heptanone
CAS Registry Number 94719-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28OS
InChI InChI=1S/C19H28OS/c1-2-3-6-15-18(21-17-13-9-5-10-14-17)19(20)16-11-7-4-8-12-16/h5,9-10,13-14,16,18H,2-4,6-8,11-12,15H2,1H3
InChIKey XZJIYTTWZXGJIS-UHFFFAOYSA-N
Molecular Weight 304.492 g/mol
SMILES C(C(Sc1ccccc1)CCCCC)(=O)C1CCCCC1
SPLASH splash10-0006-0901000000-4d5c120dae81181320be
Source of Spectrum AJ-58-2853-5
Wiley ID 1306675