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3-(Formylmethyl)-2-(phenylthio)tetrahydropyran
SpectraBase Compound ID JDfjtnx0Tjn
InChI InChI=1S/C13H16O2S/c14-9-8-11-5-4-10-15-13(11)16-12-6-2-1-3-7-12/h1-3,6-7,9,11,13H,4-5,8,10H2
InChIKey XAGONYLZFQLBRM-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUj4Y0lz2ek
Name 3-(Formylmethyl)-2-(phenylthio)tetrahydropyran
Alternate Name(s) [2-(phenylsulfanyl)tetrahydro-2H-pyran-3-yl]acetaldehyde
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Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c14-9-8-11-5-4-10-15-13(11)16-12-6-2-1-3-7-12/h1-3,6-7,9,11,13H,4-5,8,10H2
InChIKey XAGONYLZFQLBRM-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES C1(Sc2ccccc2)OCCCC1CC=O
SPLASH splash10-004i-4900000000-b2a7eeb7c8f50a2042dc
Source of Spectrum J-58-2685-11
Wiley ID 1237992