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(R)-6-(2-Thienyl)piperidin-2-one
SpectraBase Compound ID GANVNI9edzw
InChI InChI=1S/C9H11NOS/c11-9-5-1-3-7(10-9)8-4-2-6-12-8/h2,4,6-7H,1,3,5H2,(H,10,11)/t7-/m1/s1
InChIKey JMSRVEMDPKKNMC-SSDOTTSWSA-N
Mol Weight 181.25 g/mol
Molecular Formula C9H11NOS
Exact Mass 181.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHgkXrTJony
Name (R)-6-(2-Thienyl)piperidin-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.056135151 u
Formula C9H11NOS
InChI InChI=1S/C9H11NOS/c11-9-5-1-3-7(10-9)8-4-2-6-12-8/h2,4,6-7H,1,3,5H2,(H,10,11)/t7-/m1/s1
InChIKey JMSRVEMDPKKNMC-SSDOTTSWSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo400164y
Optical Rotation [a]D20 = +63.0 (c = 0.7, CH2Cl2)
Quality 289
Reported Formula C9H11NOS
SMILES N1[C@](CCCC1=O)(C=1SC=CC1)[H]
SPLASH splash10-01q9-0900000000-7786c5182d2c43ca5017
Sample Comments 98% ee
Source of Spectrum JOC-78-3652-4j (DOI: 10.1021/jo400164y)
Thin-Layer Chromatography 0.26 (hexane/ethyl acetate, 1:3)
Wiley ID 1912514