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syn-5,7,8-Trideuterio-4-nitro-[2.2](1,4)naphthalenoparacyclophane
SpectraBase Compound ID 81kS4zAzBtH
InChI InChI=1S/C20H17NO2/c22-21(23)20-13-14-5-7-15-9-10-16(11-12-17(20)8-6-14)19-4-2-1-3-18(15)19/h1-4,6,8-10,13H,5,7,11-12H2/i6D,8D,13D
InChIKey NBGKVNPWXRXJFC-YPRXDIEGSA-N
Mol Weight 306.38 g/mol
Molecular Formula C20H142D3NO2
Exact Mass 306.144759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QDcR3plqvk
Name syn-5,7,8-Trideuterio-4-nitro-[2.2](1,4)naphthalenoparacyclophane
Alternate Name(s) anti-5,7,8-Trideuterio-4-nitro-[2.2](1,4)naphthalenoparacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14D3NO2
InChI InChI=1S/C20H17NO2/c22-21(23)20-13-14-5-7-15-9-10-16(11-12-17(20)8-6-14)19-4-2-1-3-18(15)19/h1-4,6,8-10,13H,5,7,11-12H2/i6D,8D,13D
InChIKey NBGKVNPWXRXJFC-YPRXDIEGSA-N
Molecular Weight 306.379 g/mol
SMILES c1(N(=O)=O)c2CCc3c4ccccc4c(CCc(c1[2D])c([2D])c2[2D])cc3
SPLASH splash10-0udi-0900000000-c32913c6f5133a5fb994
Source of Spectrum KC-0-2143-11
Wiley ID 820508