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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtEvwsUZNfG
Name 4-Nitro-5-(1-pyrenyl)pentanoic acid methyl ester
Alternate Name(s) 4-Nitro-5-pyren-1-yl-valeric acid methyl ester Methyl 4-nitro-5-pyren-1-yl-pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)(Cc1c2c3c4c(cccc4cc2)ccc3cc1)CCC(=O)OC
SPLASH splash10-03xr-0189000000-6b166e80620b2b1d847f
Source of Spectrum J-62-8567-5
Wiley ID 1349077