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Acenaphthylene, 2-chloro-1-ethyl-1,2-dihydro-1-methyl-5,6-dinitro-, trans-
SpectraBase Compound ID DZMPCAGodMJ
InChI InChI=1S/C15H13ClN2O4/c1-3-15(2)9-5-7-11(18(21)22)13-10(17(19)20)6-4-8(12(9)13)14(15)16/h4-7,14H,3H2,1-2H3/t14-,15+/m1/s1
InChIKey NFZSBLFALMRHBY-CABCVRRESA-N
Mol Weight 320.73 g/mol
Molecular Formula C15H13ClN2O4
Exact Mass 320.056385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcGcMD7pKtQ
Name Acenaphthylene, 2-chloro-1-ethyl-1,2-dihydro-1-methyl-5,6-dinitro-, trans-
CAS Registry Number 112083-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClN2O4
InChI InChI=1S/C15H13ClN2O4/c1-3-15(2)9-5-7-11(18(21)22)13-10(17(19)20)6-4-8(12(9)13)14(15)16/h4-7,14H,3H2,1-2H3/t14-,15+/m1/s1
InChIKey NFZSBLFALMRHBY-CABCVRRESA-N
Molecular Weight 320.732 g/mol
SMILES c12c3c(N(=O)=O)ccc2[C@@](Cl)([C@](c1ccc3N(=O)=O)(CC)C)[H]
SPLASH splash10-0089-0943000000-5cddae99b9b03aa7b4d6
Source of Spectrum B-40-533-17
Synonyms (1S,2S)-2-chloro-1-ethyl-1-methyl-5,6-dinitro-1,2-dihydroacenaphthylene t-2-choro-r-1-ethyl-1-methyl-5,6-dinitroacenaphthene T
Wiley ID 1319828