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(3aR,7aR)-2,2-Dideuterio-1-(trideuteriomethyl)-3a,4,5,6,7,7a-hexahydro-3H-indole
SpectraBase Compound ID EY7ZufjU3gG
InChI InChI=1S/C9H17N/c1-10-7-6-8-4-2-3-5-9(8)10/h8-9H,2-7H2,1H3/t8-,9-/m1/s1/i1D3,7D2
InChIKey AWTMNUUIQAMREG-RRMCYLBQSA-N
Mol Weight 144.27 g/mol
Molecular Formula C9H12D5N
Exact Mass 144.167483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JGtMvPJFFx
Name (3aR,7aR)-2,2-Dideuterio-1-(trideuteriomethyl)-3a,4,5,6,7,7a-hexahydro-3H-indole
CAS Registry Number 117505-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12D5N
InChI InChI=1S/C9H17N/c1-10-7-6-8-4-2-3-5-9(8)10/h8-9H,2-7H2,1H3/t8-,9-/m1/s1/i1D3,7D2
InChIKey AWTMNUUIQAMREG-RRMCYLBQSA-N
Molecular Weight 144.273 g/mol
SMILES [C@]12(N(C(C[C@]2(CCCC1)[H])([D])[D])C([D])([D])[D])[H]
SPLASH splash10-0udi-1900000000-5dca71a479d9d2203b02
Source of Spectrum Y-25-71-8
Wiley ID 1138864