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4-Nitro-5-(1-pyrenyl)pentanoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Nitro-5-(1-pyrenyl)pentanoic acid methyl ester
SpectraBase Compound ID Yd6llPiOoG
InChI InChI=1S/C22H19NO4/c1-27-20(24)12-10-18(23(25)26)13-17-8-7-16-6-5-14-3-2-4-15-9-11-19(17)22(16)21(14)15/h2-9,11,18H,10,12-13H2,1H3
InChIKey FSQGTHQGMNBSQC-UHFFFAOYSA-N
Mol Weight 361.4 g/mol
Molecular Formula C22H19NO4
Exact Mass 361.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KACpdb5h0F7
Name 4-Nitro-5-(1-pyrenyl)pentanoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.131408092 u
Formula C22H19NO4
InChI InChI=1S/C22H19NO4/c1-27-20(24)12-10-18(23(25)26)13-17-8-7-16-6-5-14-3-2-4-15-9-11-19(17)22(16)21(14)15/h2-9,11,18H,10,12-13H2,1H3
InChIKey FSQGTHQGMNBSQC-UHFFFAOYSA-N
Molecular Weight 361.397 g/mol
SMILES C(N(=O)=O)(CC1=C2C3=C4C(C=CC=C4C=C2)=CC=C3C=C1)CCC(=O)OC