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acetic acid, [[(2Z)-2-[(3-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]amino]-

View entire compound with spectra: 2 NMR

acetic acid, [[(2Z)-2-[(3-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]amino]-
SpectraBase Compound ID 9mbxPyTAm4n
InChI InChI=1S/C16H13BrN2O5/c17-11-4-1-3-10(7-11)15(22)19-13(8-12-5-2-6-24-12)16(23)18-9-14(20)21/h1-8H,9H2,(H,18,23)(H,19,22)(H,20,21)/b13-8-
InChIKey GPWWPZVJEKCVII-JYRVWZFOSA-N
Mol Weight 393.19 g/mol
Molecular Formula C16H13BrN2O5
Exact Mass 392.000785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtAodblwDg4
Name Acetic acid, [[(2Z)-2-[(3-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]amino]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.000784522 u
Formula C16H13BrN2O5
InChI InChI=1S/C16H13BrN2O5/c17-11-4-1-3-10(7-11)15(22)19-13(8-12-5-2-6-24-12)16(23)18-9-14(20)21/h1-8H,9H2,(H,18,23)(H,19,22)(H,20,21)/b13-8-
InChIKey GPWWPZVJEKCVII-JYRVWZFOSA-N
Molecular Weight 393.193 g/mol
SMILES N(C(C=1C=C(Br)C=CC1)=O)\C(C(NCC(=O)O)=O)=C/C=1OC=CC1