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1H-Dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxathiepin, 5,5a,10,14b-tetrahydro-, 3-oxide, [5aR-(5a.alpha.,14b.beta.)]-
SpectraBase Compound ID JWKv4QYQWDi
InChI InChI=1S/C17H16O3S/c18-21-19-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17(16)11-20-21/h1-8,16-17H,9-11H2
InChIKey UZANHVHZMJVUIH-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aicllst6em1
Name 1H-Dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxathiepin, 5,5a,10,14b-tetrahydro-, 3-oxide, [5aR-(5a.alpha.,14b.beta.)]-
Alternate Name(s) (5aR,14bR)-5,5a,10,14b-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxathiepine-3-oxide (cyclic sulfite of 16) 5,5a,10,14b-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxathiepin 3-oxide
CAS Registry Number 115474-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c18-21-19-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17(16)11-20-21/h1-8,16-17H,9-11H2
InChIKey UZANHVHZMJVUIH-UHFFFAOYSA-N
Molecular Weight 300.372 g/mol
SMILES C1OS(OCC2c3c(Cc4c(C12)cccc4)cccc3)=O
SPLASH splash10-0a4l-0890000000-b064ac3e9d090a8ecd20
Source of Spectrum F-43-4958-27
Wiley ID 1302868