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2-Thiophenepropanenitrile
SpectraBase Compound ID KnFCQtxY8MN
InChI InChI=1S/C7H7NS/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3H2
InChIKey JFHPLEDDWFMRMW-UHFFFAOYSA-N
Mol Weight 137.2 g/mol
Molecular Formula C7H7NS
Exact Mass 137.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64pFlnMzZaA
Name 2-Thiophenepropanenitrile
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 137.029920403 u
Formula C7H7NS
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C7H7NS/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3H2
InChIKey JFHPLEDDWFMRMW-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Quality 525
SMILES C=1SC(=CC1)CCC#N
SPLASH splash10-0002-9100000000-bc030d0399e44feb0889
Source of Spectrum JAFC-70-SM17-17-2 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911500