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5-(1-hydroxy-2,2-dimethylpropyl)-3-thiophenecarbonitrile
SpectraBase Compound ID 3DrnGA0nMeP
InChI InChI=1S/C10H13NOS/c1-10(2,3)9(12)8-4-7(5-11)6-13-8/h4,6,9,12H,1-3H3
InChIKey PHYUHGMXOYQSLG-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 3HurAZ4pr8n
Name 5-(1-hydroxy-2,2-dimethylpropyl)-3-thiophenecarbonitrile
CAS Registry Number 111504-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NOS
InChI InChI=1S/C10H13NOS/c1-10(2,3)9(12)8-4-7(5-11)6-13-8/h4,6,9,12H,1-3H3
InChIKey PHYUHGMXOYQSLG-UHFFFAOYSA-N
Molecular Weight 195.280 g/mol
SMILES OC(c1scc(c1)C#N)C(C)(C)C
SPLASH splash10-0a4r-9500000000-c4715599b2cb9c36aaca
Source of Spectrum B-40-56-0
Synonyms 5-(1-hydroxy-2,2-dimethylpropyl)thiophene-3-carbonitrile 5-(2,2-dimethyl-1-oxidanyl-propyl)thiophene-3-carbonitrile
Wiley ID 1191939