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3,4-Epoxy-2-phenylthioheptane
SpectraBase Compound ID B1YaohV1EgR
InChI InChI=1S/C13H18OS/c1-3-7-12-13(14-12)10(2)15-11-8-5-4-6-9-11/h4-6,8-10,12-13H,3,7H2,1-2H3
InChIKey KHNFEDIGSLINBL-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2q4FWAdozjN
Name 3,4-Epoxy-2-phenylthioheptane
Alternate Name(s) 2-[1-(phenylsulfanyl)ethyl]-3-propyloxirane phenyl 1-(3-propyl-2-oxiranyl)ethyl sulfide trans-3,4-Epoxy-2-phenylthioheptane
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Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-3-7-12-13(14-12)10(2)15-11-8-5-4-6-9-11/h4-6,8-10,12-13H,3,7H2,1-2H3
InChIKey KHNFEDIGSLINBL-UHFFFAOYSA-N
Molecular Weight 222.346 g/mol
SMILES C1(OC1CCC)C(Sc1ccccc1)C
SPLASH splash10-0229-0930000000-1e637ffae8b680affe00
Source of Spectrum AJ-69-2101-1
Wiley ID 773650