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anti-6a,14.beta.-Dideutero-5,6,6a,7,13,13a-hexahydro-7,13-methanoquino[3,4-c][1]benzazepine
SpectraBase Compound ID InyeQCdeqIt
InChI InChI=1S/C18H18N2/c1-4-8-16-11(5-1)13-9-17(20-16)14-10-19-15-7-3-2-6-12(15)18(13)14/h1-8,13-14,17-20H,9-10H2/t13-,14+,17-,18-/m0/s1/i9D,18D/t9-,13+,14-,17+,18+/m1
InChIKey CZKDOPWBRQDQQF-QLJKZEBCSA-N
Mol Weight 264.37 g/mol
Molecular Formula C18H162D2N2
Exact Mass 264.159552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JopO5A1cxec
Name anti-6a,14.beta.-Dideutero-5,6,6a,7,13,13a-hexahydro-7,13-methanoquino[3,4-c][1]benzazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16D2N2
InChI InChI=1S/C18H18N2/c1-4-8-16-11(5-1)13-9-17(20-16)14-10-19-15-7-3-2-6-12(15)18(13)14/h1-8,13-14,17-20H,9-10H2/t13-,14+,17-,18-/m0/s1/i9D,18D/t9-,13+,14-,17+,18+/m1
InChIKey CZKDOPWBRQDQQF-QLJKZEBCSA-N
Molecular Weight 264.368 g/mol
SMILES N1C[C@@]2([C@@]3([C@@]([C@]([C@@]2(c2c1cccc2)[2D])(c1c(cccc1)N3)[H])([2D])[H])[H])[H]
SPLASH splash10-001i-0920000000-d15e4d28150a2304c1d9
Source of Spectrum J-67-4701-3
Wiley ID 1570241