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Z-L-Pyroglutamic acid 4-nitrophenyl ester
SpectraBase Compound ID HLNK325Rm7l
InChI InChI=1S/C19H16N2O7/c22-17-11-10-16(18(23)28-15-8-6-14(7-9-15)21(25)26)20(17)19(24)27-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
InChIKey ZRQOXQJWPSHSDJ-INIZCTEOSA-N
Mol Weight 384.34 g/mol
Molecular Formula C19H16N2O7
Exact Mass 384.095751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1T5ETzyQI4s
Name Z-L-Pyroglutamic acid 4-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.095750856 u
Formula C19H16N2O7
InChI InChI=1S/C19H16N2O7/c22-17-11-10-16(18(23)28-15-8-6-14(7-9-15)21(25)26)20(17)19(24)27-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
InChIKey ZRQOXQJWPSHSDJ-INIZCTEOSA-N
Molecular Weight 384.344 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)OC(=O)[C@]1(N(C(=O)CC1)C(=O)OCC1=CC=CC=C1)[H]