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7-Methoxy-4-(trideuteriomethyl)-3,5-dihydro-2H-1,4-benzothiazepine
SpectraBase Compound ID AZ6Vhnf14CM
InChI InChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3/i1D3
InChIKey BGVCEGVSQDOGSB-FIBGUPNXSA-N
Mol Weight 212.33 g/mol
Molecular Formula C11H12D3NOS
Exact Mass 212.106266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2w5LRUeZM8r
Name 7-Methoxy-4-(trideuteriomethyl)-3,5-dihydro-2H-1,4-benzothiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12D3NOS
InChI InChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3/i1D3
InChIKey BGVCEGVSQDOGSB-FIBGUPNXSA-N
Literature Reference DOI 10.1002/rcm.4161
Molecular Weight 212.325 g/mol
SMILES c12c(SCCN(C2)C([D])([D])[D])ccc(c1)OC
SPLASH splash10-0f89-1910000000-7cdf83fcfc892321d8ac
Source of Spectrum RCM-23-2366-2,N_CD3_S_107
Synonyms 7-Methoxy-4-(methyl-d3)-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine
Wiley ID 1820634