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6-isothiocyanato-2,3-dihydro-1,4-benzodioxin
SpectraBase Compound ID EfHzJAMDwB6
InChI InChI=1S/C9H7NO2S/c13-6-10-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2
InChIKey KALNNFRLHRAJNK-UHFFFAOYSA-N
Mol Weight 193.22 g/mol
Molecular Formula C9H7NO2S
Exact Mass 193.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99lXXN12DgR
Name 6-isothiocyanato-2,3-dihydro-1,4-benzodioxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2S
InChI InChI=1S/C9H7NO2S/c13-6-10-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2
InChIKey KALNNFRLHRAJNK-UHFFFAOYSA-N
Molecular Weight 193.220 g/mol
SMILES c1(N=C=S)cc2OCCOc2cc1
SPLASH splash10-0006-0900000000-2741d41cf08a2616825a
Source of Spectrum KC-0-891-0
Synonyms 6-isothiocyanato-2,3-dihydro-1,4-benzodioxine
Wiley ID 824392