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3-Methyl-4-deutero-5-hydro-1,2,4-benzothiadiazepine-1,1-dioxide
SpectraBase Compound ID 5U58pIu8iJC
InChI InChI=1S/C9H10N2O2S/c1-7-10-6-8-4-2-3-5-9(8)14(12,13)11-7/h2-5H,6H2,1H3,(H,10,11)/i/hD
InChIKey ROXQRPCIKGUTCR-DYCDLGHISA-N
Mol Weight 211.26 g/mol
Molecular Formula C9H92DN2O2S
Exact Mass 211.052575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KxYJoGP3rq
Name 3-Methyl-4-deutero-5-hydro-1,2,4-benzothiadiazepine-1,1-dioxide
Alternate Name(s) 1,2,4-Benzothiadiazepine, 2,5-dihydro-3-methyl-, 1,1-dioxide, monodeutero- 3-Methyl-2,5-dihydro-1,2,4-benzothiadiazepine-1,1-dioxide, monodeutero-
CAS Registry Number 93612-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9DN2O2S
InChI InChI=1S/C9H10N2O2S/c1-7-10-6-8-4-2-3-5-9(8)14(12,13)11-7/h2-5H,6H2,1H3,(H,10,11)/i/hD
InChIKey ROXQRPCIKGUTCR-DYCDLGHISA-N
Molecular Weight 211.257 g/mol
SMILES C=1(N(S(c2c(CN1)cccc2)(=O)=O)[2D])C
SPLASH splash10-052b-0900000000-7a27ac2722d90adf1a6a
Source of Spectrum O-19-282-1
Wiley ID 1208634