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3-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)carbamoyl]prop-2-enoic acid

View entire compound with spectra: 1 NMR

3-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)carbamoyl]prop-2-enoic acid
SpectraBase Compound ID 52oD5SxEGz6
InChI InChI=1S/C13H13NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-6,9H,7-8H2,(H,14,15)(H,16,17)/b6-5+
InChIKey AYQPUBDBFWSNPV-AATRIKPKSA-N
Mol Weight 263.25 g/mol
Molecular Formula C13H13NO5
Exact Mass 263.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID p4uv1DZQPp
Name 3-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)carbamoyl]prop-2-enoic acid
Comments Computed using HOSE algorithm
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Exact Mass 263.079372518 u
Formula C13H13NO5
InChI InChI=1S/C13H13NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-6,9H,7-8H2,(H,14,15)(H,16,17)/b6-5+
InChIKey AYQPUBDBFWSNPV-AATRIKPKSA-N
Molecular Weight 263.249 g/mol
SMILES C1=CC=2OCC(OC2C=C1)CNC(\C=C\C(=O)O)=O