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E-caprolactam

View entire compound with spectra: 85 NMR, 16 FTIR, 2 Raman, and 20 MS (GC)

E-caprolactam
SpectraBase Compound ID 9A4DhXH6ISU
InChI InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Mol Weight 113.16 g/mol
Molecular Formula C6H11NO
Exact Mass 113.084064 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmQFdUlzXQf
Name Hexahydro-azepin-2-one
CAS Registry Number 105-60-2
Comments CHCL3 2M,LOCK:HN03 ENRICHED IN D2O COND. FOR 1H COUPL. CONST.:H2O
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C6H11NO
InChI InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Instrument Name Bruker WH-180
Literature Reference K.L. Williamson, J.D. Roberts, J. Am. Chem. Soc. 98, 5082 (1976).
NMR Standard CH3NO2
Observed nucleus 15N