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2-Methylimino-3-deuteromethyl-6-methoxycarbonyl perhydro-1,3-thiazin-4-one
SpectraBase Compound ID BkjwP2k9P4d
InChI InChI=1S/C8H12N2O3S/c1-9-8-10(2)6(11)4-5(14-8)7(12)13-3/h5H,4H2,1-3H3/b9-8-/i2D
InChIKey UHQXFWGUQBPHAD-QHYBPNPGSA-N
Mol Weight 217.26 g/mol
Molecular Formula C8H112DN2O3S
Exact Mass 217.06314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJLvpOYQEur
Name 2-Methylimino-3-deuteromethyl-6-methoxycarbonyl perhydro-1,3-thiazin-4-one
CAS Registry Number 54833-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11DN2O3S
InChI InChI=1S/C8H12N2O3S/c1-9-8-10(2)6(11)4-5(14-8)7(12)13-3/h5H,4H2,1-3H3/b9-8-/i2D
InChIKey UHQXFWGUQBPHAD-QHYBPNPGSA-N
Molecular Weight 217.261 g/mol
SMILES C1(S\C(N(C(C1)=O)C[2D])=N\C)C(=O)OC
SPLASH splash10-066r-4960000000-1f11566a3993ae4b0911
Source of Spectrum AD-0-1063-0
Wiley ID 27275