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hexahydro-2(1H)-azocinone

View entire compound with spectra: 16 NMR, 4 FTIR, 1 Raman, and 3 MS (GC)

hexahydro-2(1H)-azocinone
SpectraBase Compound ID LLF4bbTw9bB
InChI InChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
InChIKey CJYXCQLOZNIMFP-UHFFFAOYSA-N
Mol Weight 127.19 g/mol
Molecular Formula C7H13NO
Exact Mass 127.099714 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16WCbACNmUC
Name 7-Amino-heptanoic acid, lactam
CAS Registry Number 673-66-5
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 C7H13NO
InChI InChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
InChIKey CJYXCQLOZNIMFP-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