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N-acetyl-(2',3',4',5',6'-pentadeuterio-4-phenyl)butylamine

View entire compound with spectra: 1 MS (GC)

N-acetyl-(2',3',4',5',6'-pentadeuterio-4-phenyl)butylamine
SpectraBase Compound ID G75Ot62B2lS
InChI InChI=1S/C12H17NO/c1-11(14)13-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14)/i2D,3D,4D,7D,8D
InChIKey ZHWPTBJQTJMPJA-ATTUOBAHSA-N
Mol Weight 196.3 g/mol
Molecular Formula C12H122D5NO
Exact Mass 196.162398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47SKycN5dTp
Name N-acetyl-(2',3',4',5',6'-pentadeuterio-4-phenyl)butylamine
CAS Registry Number 53429-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12D5NO
InChI InChI=1S/C12H17NO/c1-11(14)13-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14)/i2D,3D,4D,7D,8D
InChIKey ZHWPTBJQTJMPJA-ATTUOBAHSA-N
Molecular Weight 196.305 g/mol
SMILES N(C(=O)C)CCCCc1c(c([2D])c(c(c1[2D])[2D])[2D])[2D]
SPLASH splash10-008m-9100000000-61cc5ef5a523054cdf18
Source of Spectrum H-57-463-3
Wiley ID 1187644