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Benzene, (3-nitropropyl-1,1-D2)-
SpectraBase Compound ID 7k07TTaejKz
InChI InChI=1S/C9H11NO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2/i7D2
InChIKey ZROLMSLMPMSLRM-RJSZUWSASA-N
Mol Weight 167.2 g/mol
Molecular Formula C9H9D2NO2
Exact Mass 167.091532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AkqI27M4Xo
Name Benzene, (3-nitropropyl-1,1-D2)-
CAS Registry Number 54410-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9D2NO2
InChI InChI=1S/C9H11NO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2/i7D2
InChIKey ZROLMSLMPMSLRM-RJSZUWSASA-N
Molecular Weight 167.204 g/mol
SMILES C(N(=O)=O)CC(c1ccccc1)([D])[D]
SPLASH splash10-0006-9400000000-edccb224189e4ad30818
Source of Spectrum O-3-489-4
Synonyms .gamma.-D2-3-Phenylnitropropane
Wiley ID 14073