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5-Deuterio-3-phenylisothiazole
SpectraBase Compound ID KqJA2ireOoD
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i7D
InChIKey QTRJTMPLVIRDHO-WHRKIXHSSA-N
Mol Weight 162.23 g/mol
Molecular Formula C9H6DNS
Exact Mass 162.036197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANegm0ZVpJW
Name 5-Deuterio-3-phenylisothiazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6DNS
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i7D
InChIKey QTRJTMPLVIRDHO-WHRKIXHSSA-N
Molecular Weight 162.228 g/mol
SMILES c1(nsc(c1)[D])-c1ccccc1
SPLASH splash10-03di-0900000000-a2f6a5fcdafb733e2b98
Source of Spectrum C-116-2300-5
Wiley ID 1157729