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hexahydro-2H-azepine-deltasquare-acetic acid, ethyl ester

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hexahydro-2H-azepine-deltasquare-acetic acid, ethyl ester
SpectraBase Compound ID mfOxCrTy6M
InChI InChI=1S/C10H17NO2/c1-2-13-10(12)8-9-6-4-3-5-7-11-9/h8,11H,2-7H2,1H3
InChIKey BRZCSNCXDNQBNN-UHFFFAOYSA-N
Mol Weight 183.25 g/mol
Molecular Formula C10H17NO2
Exact Mass 183.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gqEBgNd5nk
Name HEXAHYDRO-2H-AZEPINE-delta2,alpha-ACETIC ACID, ETHYL ESTER
Source of Sample J. P. Celerier, University of Pierre and Marie Curie, Paris, France
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO2
InChI InChI=1S/C10H17NO2/c1-2-13-10(12)8-9-6-4-3-5-7-11-9/h8,11H,2-7H2,1H3
InChIKey BRZCSNCXDNQBNN-UHFFFAOYSA-N
Melting Point 49C
Molecular Weight 183.25
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20