John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BCJTD6wDwS2 SpectraBase Spectrum ID=1L0xexcVoif

(accessed ).
2'-PHENYLSPIRO[2H-1-BENZOTHIOPYRAN-3(4H),5'-[1,3]DIOXAN]-4-ONE
SpectraBase Compound ID BCJTD6wDwS2
InChI InChI=1S/C18H16O3S/c19-16-14-8-4-5-9-15(14)22-12-18(16)10-20-17(21-11-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKey KPLYKHKJNQKVSK-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C18H16O3S
Exact Mass 312.082016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1L0xexcVoif
Name 2'-PHENYLSPIRO[2H-1-BENZOTHIOPYRAN-3(4H),5'-[1,3]DIOXAN]-4-ONE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O3S
InChI InChI=1S/C18H16O3S/c19-16-14-8-4-5-9-15(14)22-12-18(16)10-20-17(21-11-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKey KPLYKHKJNQKVSK-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 116-118C
Molecular Weight 312.39
Solvent CDCl3; Reference=TMS; Temperature 297K
SpectraBase Batch ID 59QPgTgOw1a