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4-Benzoxy-4-(2-isopropyl-1,3-dithian-2-yl)butan-2-one
SpectraBase Compound ID 5VTLLP4aU3e
InChI InChI=1S/C18H26O2S2/c1-14(2)18(21-10-7-11-22-18)17(12-15(3)19)20-13-16-8-5-4-6-9-16/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKey VFOYCMCRTPBXOI-UHFFFAOYSA-N
Mol Weight 338.52 g/mol
Molecular Formula C18H26O2S2
Exact Mass 338.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aqJHAcvs6n
Name 4-Benzoxy-4-(2-isopropyl-1,3-dithian-2-yl)butan-2-one
Alternate Name(s) 4-Benzyloxy-4-(2-isopropyl-1,3-dithian-2-yl)butan-2-one 4-Phenylmethoxy-4-(2-propan-2-yl-1,3-dithian-2-yl)-2-butanone 4-Phenylmethoxy-4-(2-propan-2-yl-1,3-dithian-2-yl)butan-2-one
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Formula C18H26O2S2
InChI InChI=1S/C18H26O2S2/c1-14(2)18(21-10-7-11-22-18)17(12-15(3)19)20-13-16-8-5-4-6-9-16/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKey VFOYCMCRTPBXOI-UHFFFAOYSA-N
Molecular Weight 338.524 g/mol
SMILES C1(C(CC(=O)C)OCc2ccccc2)(SCCCS1)C(C)C
SPLASH splash10-03dl-5090000000-4ddd3089f62ef049bc4a
Source of Spectrum OP-26-452-8
Wiley ID 850575