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13-Methyltetradecanenitrile-3,3,4,4-d4
SpectraBase Compound ID 8Q88Xb4VDq0
InChI InChI=1S/C15H29N/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15H,3-13H2,1-2H3/i8D2,10D2
InChIKey PXOOGEZSAPLDJY-AKGZQNITSA-N
Mol Weight 227.43 g/mol
Molecular Formula C15H25D4N
Exact Mass 227.255107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yAbLzm9qd6
Name 13-Methyltetradecanenitrile-3,3,4,4-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.255106921 u
Formula C15H25D4N
InChI InChI=1S/C15H29N/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15H,3-13H2,1-2H3/i8D2,10D2
InChIKey PXOOGEZSAPLDJY-AKGZQNITSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611940
Molecular Weight 227.428 g/mol
Quality 474
SMILES CC(CCCCCCCCC(C(CC#N)([D])[D])([D])[D])C
SPLASH splash10-0lxx-9600000000-a757a6adf8a230ed4f3b
Source of Spectrum ACI-56-SM38-33 (DOI: 10.1002/anie.201611940)
Wiley ID 1895644