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5-(1-hydroxy-2,2-dimethylpropyl)-2-thiophenecarbonitrile
SpectraBase Compound ID 9aDD2Qlqxb5
InChI InChI=1S/C10H13NOS/c1-10(2,3)9(12)8-5-4-7(6-11)13-8/h4-5,9,12H,1-3H3
InChIKey JXCKJWIXSDWIMU-UHFFFAOYSA-N
Mol Weight 195.28 g/mol
Molecular Formula C10H13NOS
Exact Mass 195.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzhCSXkNrCy
Name 5-(1-hydroxy-2,2-dimethylpropyl)-2-thiophenecarbonitrile
CAS Registry Number 111504-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NOS
InChI InChI=1S/C10H13NOS/c1-10(2,3)9(12)8-5-4-7(6-11)13-8/h4-5,9,12H,1-3H3
InChIKey JXCKJWIXSDWIMU-UHFFFAOYSA-N
Molecular Weight 195.280 g/mol
SMILES OC(c1sc(C#N)cc1)C(C)(C)C
SPLASH splash10-0a4l-9300000000-f1f1c518b6cdf2f0aff8
Source of Spectrum B-40-56-0
Synonyms 5-(1-hydroxy-2,2-dimethylpropyl)thiophene-2-carbonitrile 5-(2,2-dimethyl-1-oxidanyl-propyl)thiophene-2-carbonitrile
Wiley ID 1191940