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2,2-Dimethyl-5-(phenylthio)-6-allyl-4,7-dihydro-1,3-dioxepin
SpectraBase Compound ID HRGoxQOu4cv
InChI InChI=1S/C16H20O2S/c1-4-8-13-11-17-16(2,3)18-12-15(13)19-14-9-6-5-7-10-14/h4-7,9-10H,1,8,11-12H2,2-3H3
InChIKey WAGABLHXUMTLET-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHt7xCEFprx
Name 2,2-Dimethyl-5-(phenylthio)-6-allyl-4,7-dihydro-1,3-dioxepin
CAS Registry Number 89890-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-4-8-13-11-17-16(2,3)18-12-15(13)19-14-9-6-5-7-10-14/h4-7,9-10H,1,8,11-12H2,2-3H3
InChIKey WAGABLHXUMTLET-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES C1(=C(COC(OC1)(C)C)CC=C)Sc1ccccc1
SPLASH splash10-01t9-0970000000-f0c8b90c7419d4417fc7
Source of Spectrum J-49-1988-0
Synonyms 5-Allyl-2,2-dimethyl-6-(phenylsulfanyl)-4,7-dihydro-1,3-dioxepin 6-Allyl-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl phenyl sulfide 2,2-Dimethyl-5-(phenylthio)-6-prop-2-enyl-4,7-dihydro-1,3-dioxepin 5-Allyl-2,2-dimethyl-6-phenylsulfanyl-4,7-dihydro-1,3-dioxepine 2,2-Dimethyl-5-phenylsulfanyl-6-prop-2-enyl-4,7-dihydro-1,3-dioxepine
Wiley ID 1280098