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N-[1-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trideuterio-ethyl]-2,2,2-trifluoro-N-(2,2,2-trideuterioethyl)acetamide
SpectraBase Compound ID 3Bm4Vx4sKdN
InChI InChI=1S/C14H16F3NO3/c1-3-18(13(19)14(15,16)17)9(2)6-10-4-5-11-12(7-10)21-8-20-11/h4-5,7,9H,3,6,8H2,1-2H3/i1D3,2D3
InChIKey ZQRQLQUSFIZLPA-WFGJKAKNSA-N
Mol Weight 309.32 g/mol
Molecular Formula C14H10D6F3NO3
Exact Mass 309.145888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AS8UYAmzL10
Name N-[1-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trideuterio-ethyl]-2,2,2-trifluoro-N-(2,2,2-trideuterioethyl)acetamide
Alternate Name(s) N-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl-3,3,3-d3)-N-(ethyl-2,2,2-d3)-2,2,2-trifluoroacetamide
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Formula C14H10D6F3NO3
InChI InChI=1S/C14H16F3NO3/c1-3-18(13(19)14(15,16)17)9(2)6-10-4-5-11-12(7-10)21-8-20-11/h4-5,7,9H,3,6,8H2,1-2H3/i1D3,2D3
InChIKey ZQRQLQUSFIZLPA-WFGJKAKNSA-N
Literature Reference DOI 10.1002/rcm.3010
Molecular Weight 309.318 g/mol
SMILES c1c(cc2c(c1)OCO2)CC(N(C(C(F)(F)F)=O)CC([D])([D])[D])C([D])([D])[D]
SPLASH splash10-00xr-2900000000-a5192fdb66bb44e62577
Source of Spectrum RCM-21-1714-MDEA_d6_TFA
Wiley ID 1814346