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5-(Thiophen-3-yl)-3-(trifluoromethyl)pent-4-ynenitrile
SpectraBase Compound ID 6UeNqAyVWA8
InChI InChI=1S/C10H6F3NS/c11-10(12,13)9(3-5-14)2-1-8-4-6-15-7-8/h4,6-7,9H,3H2
InChIKey REUOEYKUQSQGFY-UHFFFAOYSA-N
Mol Weight 229.22 g/mol
Molecular Formula C10H6F3NS
Exact Mass 229.017305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BhDrcGqC69
Name 5-(Thiophen-3-yl)-3-(trifluoromethyl)pent-4-ynenitrile
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6F3NS
InChI InChI=1S/C10H6F3NS/c11-10(12,13)9(3-5-14)2-1-8-4-6-15-7-8/h4,6-7,9H,3H2
InChIKey REUOEYKUQSQGFY-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 229.220 g/mol
Reported Formula C10H6F3NS
SMILES c1(C#CC(C(F)(F)F)CC#N)ccsc1
SPLASH splash10-002r-0940000000-0a405e92562b976b2d63
Source of Spectrum A1-23-SM97-4r
Wiley ID 1870262