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1-Nitropyene
SpectraBase Compound ID 7KYA9m41UgJ
InChI InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChIKey ALRLPDGCPYIVHP-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C16H9NO2
Exact Mass 247.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2Nz7Z8bobA
Name Pyrene, 1-nitro-
CAS Registry Number 5522-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO2
InChI InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChIKey ALRLPDGCPYIVHP-UHFFFAOYSA-N
Molecular Weight 247.253 g/mol
SMILES c1(N(=O)=O)c2c3c4c(cccc4cc2)ccc3cc1
SPLASH splash10-0udi-2790000000-d3d0ba023ef28b63c955
Source of Spectrum LQ-1992-2588-0
Synonyms 1-Nitropyrene 1-Nitro-pyrene 3-Nitropyrene BRN 1882811 CCRIS 455 EINECS 226-868-2 HSDB 6980 NSC 81340
Wiley ID 1250213