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4-Nitro-5-(1-pyrenyl)-1-pentanol

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4-Nitro-5-(1-pyrenyl)-1-pentanol
SpectraBase Compound ID JRXQv3RnAAO
InChI InChI=1S/C21H19NO3/c23-12-2-5-18(22(24)25)13-17-9-8-16-7-6-14-3-1-4-15-10-11-19(17)21(16)20(14)15/h1,3-4,6-11,18,23H,2,5,12-13H2
InChIKey DHLYQXGRMJJHSM-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J67zNr62fdF
Name 4-Nitro-5-(1-pyrenyl)-1-pentanol
Alternate Name(s) 4-Nitro-5-pyren-1-ylpentan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c23-12-2-5-18(22(24)25)13-17-9-8-16-7-6-14-3-1-4-15-10-11-19(17)21(16)20(14)15/h1,3-4,6-11,18,23H,2,5,12-13H2
InChIKey DHLYQXGRMJJHSM-UHFFFAOYSA-N
Molecular Weight 333.387 g/mol
SMILES OCCCC(N(=O)=O)Cc1c2c3c4c(cccc4cc2)ccc3cc1
SPLASH splash10-015i-0092000000-17a6dfca7ef5b963cce9
Source of Spectrum J-62-8568-6
Wiley ID 1330397