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4-Nitrophenyl-o,o-bis-(1-hydroxybenzotriazolyl)-phosphorothioate

View entire compound with spectra: 2 NMR

4-Nitrophenyl-o,o-bis-(1-hydroxybenzotriazolyl)-phosphorothioate
SpectraBase Compound ID 6UtGySQLup6
InChI InChI=1S/C18H12N7O5PS/c26-25(27)13-9-11-14(12-10-13)28-31(32,29-23-17-7-3-1-5-15(17)19-21-23)30-24-18-8-4-2-6-16(18)20-22-24/h1-12H
InChIKey JOHFYTFHZYSJSW-UHFFFAOYSA-N
Mol Weight 469.37 g/mol
Molecular Formula C18H12N7O5PS
Exact Mass 469.035825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aGVVrHp2nd
Name 4-Nitrophenyl-o,o-bis-(1-hydroxybenzotriazolyl)-phosphorothioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.035824681 u
Formula C18H12N7O5PS
InChI InChI=1S/C18H12N7O5PS/c26-25(27)13-9-11-14(12-10-13)28-31(32,29-23-17-7-3-1-5-15(17)19-21-23)30-24-18-8-4-2-6-16(18)20-22-24/h1-12H
InChIKey JOHFYTFHZYSJSW-UHFFFAOYSA-N
Molecular Weight 469.372 g/mol
SMILES C1(N(=O)=O)=CC=C(OP(=S)(ON2N=NC3=CC=CC=C23)ON2N=NC3=CC=CC=C23)C=C1