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1,4-diketo-3-[[keto-bis(trideuteriomethyl)persulfuranylidene]amino]naphthalene-2-carboxylic acid methyl ester
SpectraBase Compound ID LAYf3yn8EjI
InChI InChI=1S/C14H13NO5S/c1-20-14(18)10-11(15-21(2,3)19)13(17)9-7-5-4-6-8(9)12(10)16/h4-7H,1-3H3/i2D3,3D3
InChIKey AMMAGKLVOGQLFD-XERRXZQWSA-N
Mol Weight 313.36 g/mol
Molecular Formula C14H72D6NO5S
Exact Mass 313.089104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGpxvrxt2js
Name 1,4-diketo-3-[[keto-bis(trideuteriomethyl)persulfuranylidene]amino]naphthalene-2-carboxylic acid methyl ester
CAS Registry Number 99336-65-9
Comments Less than 3 mono-isotopic peaks
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Formula C14H7D6NO5S
InChI InChI=1S/C14H13NO5S/c1-20-14(18)10-11(15-21(2,3)19)13(17)9-7-5-4-6-8(9)12(10)16/h4-7H,1-3H3/i2D3,3D3
InChIKey AMMAGKLVOGQLFD-XERRXZQWSA-N
Molecular Weight 313.357 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)C(=O)OC)N=S(=O)(C([2D])([2D])[2D])C([2D])([2D])[2D]
SPLASH splash10-001i-9002000000-e7d81c2817c855fc6e43
Source of Spectrum Y-22-710-12
Synonyms 1,4-dioxo-3-[[oxo-bis(trideuteriomethyl)-$l^{6}-sulfanylidene]amino]-2-naphthalenecarboxylic acid methyl ester methyl 1,4-dioxo-3-[[oxo-bis(trideuteriomethyl)-$l^{6}-sulfanylidene]amino]naphthalene-2-carboxylate
Wiley ID 1308823