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(2RS,3aSR)-(3a,4,4-Trideuterio)-2-carboethoxy-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole
SpectraBase Compound ID 1vl9J9Vh013
InChI InChI=1S/C14H18N2O2/c1-3-18-13(17)14(2)9-11-8-10-6-4-5-7-12(10)16(11)15-14/h4-7,11,15H,3,8-9H2,1-2H3/t11-,14-/m1/s1/i8D2,11D
InChIKey ZIFOOPCEIQGNNK-XFNFWPQPSA-N
Mol Weight 249.33 g/mol
Molecular Formula C14H152D3N2O2
Exact Mass 249.155658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3SrkJoRCF2
Name (2RS,3aSR)-(3a,4,4-Trideuterio)-2-carboethoxy-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole
Alternate Name(s) (2R,3aS)-3a,4,4-trideuterio-2-methyl-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylic acid ethyl ester Ethyl (2R,3aS)-3a,4,4-trideuterio-2-methyl-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylate
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Formula C14H15D3N2O2
InChI InChI=1S/C14H18N2O2/c1-3-18-13(17)14(2)9-11-8-10-6-4-5-7-12(10)16(11)15-14/h4-7,11,15H,3,8-9H2,1-2H3/t11-,14-/m1/s1/i8D2,11D
InChIKey ZIFOOPCEIQGNNK-XFNFWPQPSA-N
Molecular Weight 249.328 g/mol
SMILES N1N2[C@@](C[C@@]1(C(=O)OCC)C)(C(c1c2cccc1)([2D])[2D])[2D]
SPLASH splash10-001i-0910000000-0105f0da08fd939a5558
Source of Spectrum E1-38-1134-14
Wiley ID 1518318