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7,8-bis(methylsulfanyl)tetradecanenitrile
SpectraBase Compound ID 4iqhhGuQowX
InChI InChI=1S/C16H31NS2/c1-4-5-6-9-12-15(18-2)16(19-3)13-10-7-8-11-14-17/h15-16H,4-13H2,1-3H3
InChIKey MTSXHGPCBRGCRJ-UHFFFAOYSA-N
Mol Weight 301.55 g/mol
Molecular Formula C16H31NS2
Exact Mass 301.189792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Jb3IhP2poV
Name 7,8-bis(methylsulfanyl)tetradecanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.189792350 u
Formula C16H31NS2
InChI InChI=1S/C16H31NS2/c1-4-5-6-9-12-15(18-2)16(19-3)13-10-7-8-11-14-17/h15-16H,4-13H2,1-3H3
InChIKey MTSXHGPCBRGCRJ-UHFFFAOYSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611940
Molecular Weight 301.551 g/mol
Quality 569
SMILES C(CCCCCC(C(CCCCCC)SC)SC)#N
SPLASH splash10-052b-9801000000-dda5561124393e0f1a88
Source of Spectrum ACI-56-SM16-Figure S20-A (DOI: 10.1002/anie.201611940)
Wiley ID 1895667