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1-(phenylthio)azepan-2-one

View entire compound with spectra: 3 NMR, and 1 FTIR

1-(phenylthio)azepan-2-one
SpectraBase Compound ID 7hsczp8J6XX
InChI InChI=1S/C12H15NOS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey HVIHQLGJOGGHSI-UHFFFAOYSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1KrqzA5Uxnh
Name N-Phenylthio-e-caprolactam
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 331627
CAS Registry Number 36452-23-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey HVIHQLGJOGGHSI-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Phenylsulfanyl-azepan-2-one N-(Phenylthio)caprolactam
Wiley ID SIAL_1HNMR_006631