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7-[2'-Hydroxy-5'-nitrobenzyl]-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione

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7-[2'-Hydroxy-5'-nitrobenzyl]-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
SpectraBase Compound ID 4TFyR7CbXh0
InChI InChI=1S/C21H24N4O7/c26-17-6-5-16(25(29)30)11-15(17)12-24-9-7-22-20(27)13-31-18-3-1-2-4-19(18)32-14-21(28)23-8-10-24/h1-6,11,26H,7-10,12-14H2,(H,22,27)(H,23,28)
InChIKey GBWHLPQVWSNDLF-UHFFFAOYSA-N
Mol Weight 444.44 g/mol
Molecular Formula C21H24N4O7
Exact Mass 444.164499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EssABmhXJiF
Name 7-[2'-Hydroxy-5'-nitrobenzyl]-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.164499122 u
Formula C21H24N4O7
InChI InChI=1S/C21H24N4O7/c26-17-6-5-16(25(29)30)11-15(17)12-24-9-7-22-20(27)13-31-18-3-1-2-4-19(18)32-14-21(28)23-8-10-24/h1-6,11,26H,7-10,12-14H2,(H,22,27)(H,23,28)
InChIKey GBWHLPQVWSNDLF-UHFFFAOYSA-N
Molecular Weight 444.444 g/mol
SMILES C=1(N(=O)=O)C=C(CN2CCNC(=O)COC3=CC=CC=C3OCC(NCC2)=O)C(=CC1)O