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10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetradecadeuterio-9,10-bis(methylsulfanyl)hexadecanenitrile
SpectraBase Compound ID 9w74mJWKYzo
InChI InChI=1S/C18H35NS2/c1-4-5-6-11-14-17(20-2)18(21-3)15-12-9-7-8-10-13-16-19/h17-18H,4-15H2,1-3H3/i1D3,4D2,5D2,6D2,11D2,14D2,17D
InChIKey CFAWLOIXOUCLOM-WFGNNCKHSA-N
Mol Weight 343.69 g/mol
Molecular Formula C18H21D14NS2
Exact Mass 343.308967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2v96yxGZC3
Name 10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetradecadeuterio-9,10-bis(methylsulfanyl)hexadecanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.308966922 u
Formula C18H21D14NS2
InChI InChI=1S/C18H35NS2/c1-4-5-6-11-14-17(20-2)18(21-3)15-12-9-7-8-10-13-16-19/h17-18H,4-15H2,1-3H3/i1D3,4D2,5D2,6D2,11D2,14D2,17D
InChIKey CFAWLOIXOUCLOM-WFGNNCKHSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611940
Molecular Weight 343.690 g/mol
Quality 179
SMILES C(C(C(C(C(C(C(C(CCCCCCCC#N)SC)(SC)[D])([D])[D])([D])[D])([D])[D])([D])[D])([D])[D])([D])([D])[D]
SPLASH splash10-053r-3900000000-133212af64c01ee58fc2
Source of Spectrum ACI-56-4343-Figure 2-D (DOI: 10.1002/anie.201611940)
Wiley ID 1895605