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3-[4-(acetylamino)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
SpectraBase Compound ID 7gvk1QqbG4F
InChI InChI=1S/C17H16N2O5/c1-9(20)18-10-2-4-11(5-3-10)19-8-17-7-6-12(24-17)13(16(22)23)14(17)15(19)21/h2-7,12-14H,8H2,1H3,(H,18,20)(H,22,23)/t12-,13-,14+,17-/m1/s1
InChIKey VWVXWMBAXJBMSV-VWPFQQQWSA-N
Mol Weight 328.32 g/mol
Molecular Formula C17H16N2O5
Exact Mass 328.105922 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FgIcJhYC7IB
Name 3-[4-(acetylamino)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H16N2O5/c1-9(20)18-10-2-4-11(5-3-10)19-8-17-7-6-12(24-17)13(16(22)23)14(17)15(19)21/h2-7,12-14H,8H2,1H3,(H,18,20)(H,22,23)/t12-,13-,14+,17-/m1/s1
InChIKey VWVXWMBAXJBMSV-VWPFQQQWSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22190
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D58779; Labnumber: LGVRSB-0562; SBI_ID: SBI-022194
Temperature 315 °C