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N-[1-{2-(1,1-Dideutero-n-hexyl)phenyl}ethyl]-4-methoxyaniline
SpectraBase Compound ID 9C1rsrV8nrp
InChI InChI=1S/C21H29NO/c1-4-5-6-7-10-18-11-8-9-12-21(18)17(2)22-19-13-15-20(23-3)16-14-19/h8-9,11-17,22H,4-7,10H2,1-3H3/i10D2
InChIKey UHQHHKGLEPLIPV-KBMKNGFXSA-N
Mol Weight 313.48 g/mol
Molecular Formula C21H27D2NO
Exact Mass 313.237468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyLWcawNUL7
Name N-[1-{2-(1,1-Dideutero-n-hexyl)phenyl}ethyl]-4-methoxyaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27D2NO
InChI InChI=1S/C21H29NO/c1-4-5-6-7-10-18-11-8-9-12-21(18)17(2)22-19-13-15-20(23-3)16-14-19/h8-9,11-17,22H,4-7,10H2,1-3H3/i10D2
InChIKey UHQHHKGLEPLIPV-KBMKNGFXSA-N
Literature Reference DOI 10.1021/ol200366n
Molecular Weight 313.481 g/mol
SMILES N(c1ccc(cc1)OC)C(c1c(cccc1)C([D])([D])CCCCC)C
SPLASH splash10-000i-1910000000-f440ae90a094c4c54db1
Source of Spectrum A1-13-1875/SMS18-3e_[D2]
Wiley ID 1753040