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3-Phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl acetate

View entire compound with spectra: 3 MS (GC)

3-Phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl acetate
SpectraBase Compound ID 2eUUyYoH8Tn
InChI InChI=1S/C13H14O2S2/c1-10(14)15-13-12(16-8-5-9-17-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKey NUWNHMSMNVXZSK-UHFFFAOYSA-N
Mol Weight 266.37 g/mol
Molecular Formula C13H14O2S2
Exact Mass 266.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eOM0gvDpcd
Name 3-Phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl acetate
CAS Registry Number 70068-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S2
InChI InChI=1S/C13H14O2S2/c1-10(14)15-13-12(16-8-5-9-17-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKey NUWNHMSMNVXZSK-UHFFFAOYSA-N
Molecular Weight 266.373 g/mol
SMILES c1cccc(C=2SCCCSC2OC(=O)C)c1
SPLASH splash10-05i0-5980000000-d302b3b3ab30948ca488
Synonyms (3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) ethanoate Acetic acid (3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) ester
Wiley ID 1483941