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2-methyl-2-(thiophen-2-yl)-but-3-enenitrile
SpectraBase Compound ID 1PMTHS5dSpW
InChI InChI=1S/C9H9NS/c1-3-9(2,7-10)8-5-4-6-11-8/h3-6H,1H2,2H3
InChIKey SGCSZLOYLXAOIM-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrK0F1SnTYR
Name 2-methyl-2-(thiophen-2-yl)-but-3-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 163.045570468 u
Formula C9H9NS
InChI InChI=1S/C9H9NS/c1-3-9(2,7-10)8-5-4-6-11-8/h3-6H,1H2,2H3
InChIKey SGCSZLOYLXAOIM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503414
Molecular Weight 163.238 g/mol
Quality 207
Reported Formula C9H9NS
SMILES C=CC(C#N)(C)C=1SC=CC1
SPLASH splash10-0002-0900000000-a25293ed8287ae5208a7
Source of Spectrum QE-21-SM17-3ah (DOI: 10.1002/chem.201503414)
Wiley ID 1907493