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1-(trideuteriomethoxymethyl)-3H-2,1-benzothiazole 2,2-dioxide
SpectraBase Compound ID HVQ1Daw5yAd
InChI InChI=1S/C9H11NO3S/c1-13-7-10-9-5-3-2-4-8(9)6-14(10,11)12/h2-5H,6-7H2,1H3/i1D3
InChIKey LWWPYXNSJKMOHV-FIBGUPNXSA-N
Mol Weight 216.27 g/mol
Molecular Formula C9H8D3NO3S
Exact Mass 216.064795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBKqTDWdWjE
Name 1-(trideuteriomethoxymethyl)-3H-2,1-benzothiazole 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8D3NO3S
InChI InChI=1S/C9H11NO3S/c1-13-7-10-9-5-3-2-4-8(9)6-14(10,11)12/h2-5H,6-7H2,1H3/i1D3
InChIKey LWWPYXNSJKMOHV-FIBGUPNXSA-N
Instrument Name AMD-604
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960115)10_1_36
Molecular Weight 216.269 g/mol
SMILES c1cc2c(cc1)CS(N2COC([D])([D])[D])(=O)=O
SPLASH splash10-0002-9310000000-3898c1e214effda0aa24
Source of Spectrum RCM-10-37-3
Wiley ID 1835949